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

Systemtic Name: 2-[(2,3-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[2,3-dimethyl-N-(p-tolylsulfonyl)anilino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(2,3-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(=C4C)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(=C4C)C

InChI

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