N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(dimethylamino)-5-(1-piperidylsulfonyl)phenyl]triazole-4-carboxamide CAS Name: N-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)phenyl]-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]triazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(dimethylamino)-5-piperidinosulfonyl-phenyl]triazole-4-carboxamide Formula: C23H28N6O3S MolecularWeight: 468.57182

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CN(N=N3)CC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CN(N=N3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N6O3S/c1-27(2)22-12-11-19(33(31,32)29-13-7-4-8-14-29)15-20(22)24-23(30)21-17-28(26-25-21)16-18-9-5-3-6-10-18/h3,5-6,9-12,15,17H,4,7-8,13-14,16H2,1-2H3,(H,24,30)