2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)S(=O)(=O)C)C

InChI

InChI=1S/C21H27N3O5S2/c1-16-6-9-19(14-17(16)2)24(30(3,26)27)15-21(25)22-18-7-10-20(11-8-18)31(28,29)23-12-4-5-13-23/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,22,25)