N-[(2-methoxypyridin-3-yl)methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2-methoxypyridin-3-yl)methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2-methoxy-3-pyridyl)methyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2-methoxypyridin-3-yl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(2-methoxy-3-pyridyl)methyl]-1-tosyl-isonipecotamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(N=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(N=CC=C3)OC

InChI

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