N-(3,4-dimethylphenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3,4-dimethylphenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide CAS Name: N-(3,4-dimethylphenyl)-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-(3,4-dimethylphenyl)isonipecotamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-16-8-9-20(14-17(16)2)22-21(24)19-10-12-23(13-11-19)27(25,26)15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H,22,24)