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

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-(2-methoxy-5-methyl-phenyl)piperidine-4-carboxamide CAS Name: N-(2-methoxy-5-methylphenyl)-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-(2-methoxy-5-methyl-phenyl)isonipecotamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-16-8-9-20(27-2)19(14-16)22-21(24)18-10-12-23(13-11-18)28(25,26)15-17-6-4-3-5-7-17/h3-9,14,18H,10-13,15H2,1-2H3,(H,22,24)