(3S)-N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(p-tolylmethyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-methylbenzyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S2/c1-14-6-8-15(9-7-14)12-19-18(21)16-4-2-10-20(13-16)25(22,23)17-5-3-11-24-17/h3,5-9,11,16H,2,4,10,12-13H2,1H3,(H,19,21)/t16-/m0/s1