1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-(2-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(2-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-(2-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=CC=N3)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=N3)C

InChI

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