(3S)-1-(3-chloranyl-4-methyl-phenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3-chloranyl-4-methyl-phenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(3-chloro-4-methyl-phenyl)sulfonyl-N-(3-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(3-chloro-4-methyl-phenyl)sulfonyl-N-(3-pyridylmethyl)nipecotamide Formula: C19H22ClN3O3S MolecularWeight: 407.91428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CN=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC3=CN=CC=C3)Cl

InChI

InChI=1S/C19H22ClN3O3S/c1-14-6-7-17(10-18(14)20)27(25,26)23-9-3-5-16(13-23)19(24)22-12-15-4-2-8-21-11-15/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3,(H,22,24)/t16-/m0/s1