(3S)-N-(3,5-dimethylphenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(3,5-dimethylphenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(3,5-dimethylphenyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-(3,5-dimethylphenyl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(3,5-dimethylphenyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S2/c1-13-9-14(2)11-16(10-13)19-18(21)15-5-3-7-20(12-15)25(22,23)17-6-4-8-24-17/h4,6,8-11,15H,3,5,7,12H2,1-2H3,(H,19,21)/t15-/m0/s1