N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]triazole-4-carboxamide CAS Name: N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]triazole-4-carboxamide Traditional Name: 1-benzyl-N-[4-(3-methylpiperidino)sulfonylphenyl]triazole-4-carboxamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN(N=N3)CC4=CC=CC=C4

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN(N=N3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3S/c1-17-6-5-13-27(14-17)31(29,30)20-11-9-19(10-12-20)23-22(28)21-16-26(25-24-21)15-18-7-3-2-4-8-18/h2-4,7-12,16-17H,5-6,13-15H2,1H3,(H,23,28)