1-(2-methoxy-4,5-dimethyl-phenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-methoxy-4,5-dimethyl-phenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-(2-methoxy-4,5-dimethyl-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-benzyl-1-(2-methoxy-4,5-dimethyl-phenyl)sulfonyl-isonipecotamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H28N2O4S/c1-16-13-20(28-3)21(14-17(16)2)29(26,27)24-11-9-19(10-12-24)22(25)23-15-18-7-5-4-6-8-18/h4-8,13-14,19H,9-12,15H2,1-3H3,(H,23,25)