2-[(3,5-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[3,5-dimethyl-N-(p-tolylsulfonyl)anilino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(3,5-dimethyl-N-tosyl-anilino)-N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)acetamide Formula: C28H33N3O6S2 MolecularWeight: 571.70812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)OC)C4=CC(=CC(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)OC)C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C28H33N3O6S2/c1-20-7-9-24(10-8-20)39(35,36)31(23-16-21(2)15-22(3)17-23)19-28(32)29-26-18-25(11-12-27(26)37-4)38(33,34)30-13-5-6-14-30/h7-12,15-18H,5-6,13-14,19H2,1-4H3,(H,29,32)