N-[4-[[4-[[4-[ethanoyl(2-hydroxyethyl)amino]-3-(2-hydroxyethylsulfonyl)phenyl]amino]-2-methyl-5-methylsulfonyl-3,6-bis(oxidanyl)phenyl]amino]-2-(2-hydroxyethylsulfonyl)phenyl]-N-(2-hydroxyethyl)ethanamide

Systemtic Name: N-[4-[[4-[[4-[ethanoyl(2-hydroxyethyl)amino]-3-(2-hydroxyethylsulfonyl)phenyl]amino]-2-methyl-5-methylsulfonyl-3,6-bis(oxidanyl)phenyl]amino]-2-(2-hydroxyethylsulfonyl)phenyl]-N-(2-hydroxyethyl)ethanamide Openeye Name: N-[4-[4-[4-[acetyl(2-hydroxyethyl)amino]-3-(2-hydroxyethylsulfonyl)anilino]-2,5-dihydroxy-6-methyl-3-methylsulfonyl-anilino]-2-(2-hydroxyethylsulfonyl)phenyl]-N-(2-hydroxyethyl)acetamide CAS Name: N-[4-[4-[4-[acetyl(2-hydroxyethyl)amino]-3-(2-hydroxyethylsulfonyl)anilino]-2,5-dihydroxy-6-methyl-3-methylsulfonylanilino]-2-(2-hydroxyethylsulfonyl)phenyl]-N-(2-hydroxyethyl)acetamide IUPAC Name: N-[4-[4-[4-[acetyl(2-hydroxyethyl)amino]-3-(2-hydroxyethylsulfonyl)anilino]-2,5-dihydroxy-6-methyl-3-methylsulfonylanilino]-2-(2-hydroxyethylsulfonyl)phenyl]-N-(2-hydroxyethyl)acetamide Traditional Name: N-[4-[4-[4-[acetyl(2-hydroxyethyl)amino]-3-(2-hydroxyethylsulfonyl)anilino]-2,5-dihydroxy-3-mesyl-6-methyl-anilino]-2-(2-hydroxyethylsulfonyl)phenyl]-N-(2-hydroxyethyl)acetamide Formula: C32H42N4O14S3 MolecularWeight: 802.88928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1O)NC2=CC(=C(C=C2)N(CCO)C(=O)C)S(=O)(=O)CCO)S(=O)(=O)C)O)NC3=CC(=C(C=C3)N(CCO)C(=O)C)S(=O)(=O)CCO

Isomeric SMILES

CC1=C(C(=C(C(=C1O)NC2=CC(=C(C=C2)N(CCO)C(=O)C)S(=O)(=O)CCO)S(=O)(=O)C)O)NC3=CC(=C(C=C3)N(CCO)C(=O)C)S(=O)(=O)CCO

InChI

InChI=1S/C32H42N4O14S3/c1-19-28(33-22-5-7-24(35(9-11-37)20(2)41)26(17-22)52(47,48)15-13-39)31(44)32(51(4,45)46)29(30(19)43)34-23-6-8-25(36(10-12-38)21(3)42)27(18-23)53(49,50)16-14-40/h5-8,17-18,33-34,37-40,43-44H,9-16H2,1-4H3