(2S)-2-phenylsulfanyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide

Systemtic Name: (2S)-2-phenylsulfanyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide Openeye Name: (2S)-N-[[4-(isopropylsulfamoylmethyl)phenyl]methyl]-2-phenylsulfanyl-propanamide CAS Name: (2S)-2-(phenylthio)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide IUPAC Name: (2S)-2-phenylsulfanyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide Traditional Name: (2S)-N-[4-(isopropylsulfamoylmethyl)benzyl]-2-(phenylthio)propionamide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)CC1=CC=C(C=C1)CNC(=O)C(C)SC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)CS(=O)(=O)NC(C)C)SC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O3S2/c1-15(2)22-27(24,25)14-18-11-9-17(10-12-18)13-21-20(23)16(3)26-19-7-5-4-6-8-19/h4-12,15-16,22H,13-14H2,1-3H3,(H,21,23)/t16-/m0/s1