N-(2,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(2,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(2,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(2,5-dimethylphenyl)-1-[(1-methyl-4-imidazolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(2,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(2,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonyl-nipecotamide Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN(C=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN(C=N3)C

InChI

InChI=1S/C18H24N4O3S/c1-13-6-7-14(2)16(9-13)20-18(23)15-5-4-8-22(10-15)26(24,25)17-11-21(3)12-19-17/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3,(H,20,23)