(3S)-N-(2-methoxy-5-methyl-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2-methoxy-5-methyl-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(2-methoxy-5-methyl-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(2-methoxy-5-methylphenyl)-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-1-mesyl-N-(2-methoxy-5-methyl-phenyl)nipecotamide Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4S/c1-11-6-7-14(21-2)13(9-11)16-15(18)12-5-4-8-17(10-12)22(3,19)20/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,16,18)/t12-/m0/s1