2-[(4-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(4-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(4-ethoxy-N-[4-(methylthio)phenyl]sulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(4-ethoxy-N-[4-(methylthio)phenyl]sulfonyl-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C28H33N3O4S2 MolecularWeight: 539.70932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C28H33N3O4S2/c1-3-35-25-12-10-24(11-13-25)31(37(33,34)27-16-14-26(36-2)15-17-27)21-28(32)29-20-22-6-8-23(9-7-22)30-18-4-5-19-30/h6-17H,3-5,18-21H2,1-2H3,(H,29,32)