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

Systemtic Name: 1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-(4-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-(4-pyridylmethyl)isonipecotamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=NC=C3)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=NC=C3)C

InChI

InChI=1S/C21H27N3O4S/c1-3-28-20-5-4-19(14-16(20)2)29(26,27)24-12-8-18(9-13-24)21(25)23-15-17-6-10-22-11-7-17/h4-7,10-11,14,18H,3,8-9,12-13,15H2,1-2H3,(H,23,25)