N-[(4-methoxy-3-oxidanyl-phenyl)methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-methoxy-3-oxidanyl-phenyl)methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(3-hydroxy-4-methoxy-phenyl)methyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-hydroxy-4-methoxy-benzyl)-1-tosyl-isonipecotamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-15-3-6-18(7-4-15)29(26,27)23-11-9-17(10-12-23)21(25)22-14-16-5-8-20(28-2)19(24)13-16/h3-8,13,17,24H,9-12,14H2,1-2H3,(H,22,25)