2-[(4-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(4-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonyl-anilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-(4-ethoxy-N-[4-(methylthio)phenyl]sulfonylanilino)-N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-ethoxy-N-[4-(methylthio)phenyl]sulfonyl-anilino)-N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)acetamide Formula: C28H33N3O7S3 MolecularWeight: 619.77252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)OC)S(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)OC)S(=O)(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C28H33N3O7S3/c1-4-38-22-9-7-21(8-10-22)31(41(35,36)24-13-11-23(39-3)12-14-24)20-28(32)29-26-19-25(15-16-27(26)37-2)40(33,34)30-17-5-6-18-30/h7-16,19H,4-6,17-18,20H2,1-3H3,(H,29,32)