4-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-methoxy-N-[2-(p-tolylsulfanyl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-methoxy-N-[2-[(4-methylphenyl)thio]ethyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-methoxy-N-[2-(p-tolylthio)ethyl]-3-pyrrolidinosulfonyl-benzamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H26N2O4S2/c1-16-5-8-18(9-6-16)28-14-11-22-21(24)17-7-10-19(27-2)20(15-17)29(25,26)23-12-3-4-13-23/h5-10,15H,3-4,11-14H2,1-2H3,(H,22,24)