(3S)-N-(3-methylsulfanylphenyl)-3-[[(phenylmethyl)sulfonylamino]methyl]piperidine-1-carboxamide

Systemtic Name: (3S)-N-(3-methylsulfanylphenyl)-3-[[(phenylmethyl)sulfonylamino]methyl]piperidine-1-carboxamide Openeye Name: (3S)-3-[(benzylsulfonylamino)methyl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide CAS Name: (3S)-N-[3-(methylthio)phenyl]-3-[[(phenylmethyl)sulfonylamino]methyl]-1-piperidinecarboxamide IUPAC Name: (3S)-3-[(benzylsulfonylamino)methyl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide Traditional Name: (3S)-3-[(benzylsulfonylamino)methyl]-N-[3-(methylthio)phenyl]piperidine-1-carboxamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N2CCCC(C2)CNS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CCC[C@@H](C2)CNS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S2/c1-28-20-11-5-10-19(13-20)23-21(25)24-12-6-9-18(15-24)14-22-29(26,27)16-17-7-3-2-4-8-17/h2-5,7-8,10-11,13,18,22H,6,9,12,14-16H2,1H3,(H,23,25)/t18-/m1/s1