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

Systemtic Name: (2S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-methylphenyl)sulfanyl-propanamide Openeye Name: (2S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(p-tolylsulfanyl)propanamide CAS Name: (2S)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-[(4-methylphenyl)thio]propanamide IUPAC Name: (2S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylpropanamide Traditional Name: (2S)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-(p-tolylthio)propionamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)[C@H](C)SC2=CC=C(C=C2)C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H28N2O4S2/c1-4-28-20-12-9-18(15-21(20)30(26,27)24-13-5-6-14-24)23-22(25)17(3)29-19-10-7-16(2)8-11-19/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,23,25)/t17-/m0/s1