N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: 1-methylsulfonyl-N-[1-(p-tolylmethyl)-1,2,4-triazol-3-yl]piperidine-4-carboxamide CAS Name: N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]isonipecotamide Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H23N5O3S/c1-13-3-5-14(6-4-13)11-21-12-18-17(20-21)19-16(23)15-7-9-22(10-8-15)26(2,24)25/h3-6,12,15H,7-11H2,1-2H3,(H,19,20,23)