(3S)-N-[(1S)-1-(2-methylphenyl)ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(1S)-1-(2-methylphenyl)ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(1S)-1-(o-tolyl)ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(1S)-1-(2-methylphenyl)ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(1S)-1-(2-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(1S)-1-(o-tolyl)ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C19H24N2O3S2 MolecularWeight: 392.53546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H24N2O3S2/c1-14-7-3-4-9-17(14)15(2)20-19(22)16-8-5-11-21(13-16)26(23,24)18-10-6-12-25-18/h3-4,6-7,9-10,12,15-16H,5,8,11,13H2,1-2H3,(H,20,22)/t15-,16-/m0/s1