(3S)-1-(4-methylphenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-methylphenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(p-tolylsulfonyl)-N-[4-(4-pyridylmethyl)phenyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4-methylphenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-methylphenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-3-carboxamide Traditional Name: (3S)-N-[4-(4-pyridylmethyl)phenyl]-1-tosyl-nipecotamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4

InChI

InChI=1S/C25H27N3O3S/c1-19-4-10-24(11-5-19)32(30,31)28-16-2-3-22(18-28)25(29)27-23-8-6-20(7-9-23)17-21-12-14-26-15-13-21/h4-15,22H,2-3,16-18H2,1H3,(H,27,29)/t22-/m0/s1