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

Systemtic Name: (3S)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-(3-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-(3-pyridylmethyl)nipecotamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-15-11-18(7-8-19(15)27-2)28(25,26)23-10-4-6-17(14-23)20(24)22-13-16-5-3-9-21-12-16/h3,5,7-9,11-12,17H,4,6,10,13-14H2,1-2H3,(H,22,24)/t17-/m0/s1