1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(m-tolylmethyl)piperidine-4-carboxamide CAS Name: 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(3-methylphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-benzofurazan-4-ylsulfonyl-N-(3-methylbenzyl)isonipecotamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43

InChI

InChI=1S/C20H22N4O4S/c1-14-4-2-5-15(12-14)13-21-20(25)16-8-10-24(11-9-16)29(26,27)18-7-3-6-17-19(18)23-28-22-17/h2-7,12,16H,8-11,13H2,1H3,(H,21,25)