N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(2-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(2-methylphenyl)sulfanyl-ethanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(o-tolylsulfanyl)acetamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-[(2-methylphenyl)thio]acetamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2-methylphenyl)sulfanylacetamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-(o-tolylthio)acetamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H26N2O4S2/c1-3-27-18-11-10-17(14-20(18)29(25,26)23-12-6-7-13-23)22-21(24)15-28-19-9-5-4-8-16(19)2/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,22,24)