1-(4-methylsulfanylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-methylsulfanylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(4-methylsulfanylphenyl)sulfonyl-N-(4-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[4-(methylthio)phenyl]sulfonyl-N-(pyridin-4-ylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-methylsulfanylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[4-(methylthio)phenyl]sulfonyl-N-(4-pyridylmethyl)isonipecotamide Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C19H23N3O3S2/c1-26-17-2-4-18(5-3-17)27(24,25)22-12-8-16(9-13-22)19(23)21-14-15-6-10-20-11-7-15/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,21,23)