(3S)-N-(2,3-dimethylphenyl)-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2,3-dimethylphenyl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(2,3-dimethylphenyl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(2,3-dimethylphenyl)-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2,3-dimethylphenyl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(2,3-dimethylphenyl)-1-mesyl-nipecotamide Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3S/c1-11-6-4-8-14(12(11)2)16-15(18)13-7-5-9-17(10-13)21(3,19)20/h4,6,8,13H,5,7,9-10H2,1-3H3,(H,16,18)/t13-/m0/s1