2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(3,5-dimethyl-N-methylsulfonyl-anilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(N-mesyl-3,5-dimethyl-anilino)-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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