N-methyl-N-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-propan-2-yl-benzotriazole-5-sulfonamide

Systemtic Name: N-methyl-N-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-propan-2-yl-benzotriazole-5-sulfonamide Openeye Name: 1-isopropyl-N-methyl-N-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]benzotriazole-5-sulfonamide CAS Name: N-methyl-N-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1-propan-2-yl-5-benzotriazolesulfonamide IUPAC Name: N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-propan-2-ylbenzotriazole-5-sulfonamide Traditional Name: 1-isopropyl-N-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-N-methyl-benzotriazole-5-sulfonamide Formula: C21H27N7O3S MolecularWeight: 457.54918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)N3CCN(CC3)C4=CC=CC=N4)N=N1

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)N3CCN(CC3)C4=CC=CC=N4)N=N1

InChI

InChI=1S/C21H27N7O3S/c1-16(2)28-19-8-7-17(14-18(19)23-24-28)32(30,31)25(3)15-21(29)27-12-10-26(11-13-27)20-6-4-5-9-22-20/h4-9,14,16H,10-13,15H2,1-3H3