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

Systemtic Name: N-methyl-N-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-1-propan-2-yl-benzotriazole-5-sulfonamide Openeye Name: 1-isopropyl-N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzotriazole-5-sulfonamide CAS Name: N-methyl-N-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1-propan-2-yl-5-benzotriazolesulfonamide IUPAC Name: N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-propan-2-ylbenzotriazole-5-sulfonamide Traditional Name: 1-isopropyl-N-[2-keto-2-(4-phenylpiperazino)ethyl]-N-methyl-benzotriazole-5-sulfonamide Formula: C22H28N6O3S MolecularWeight: 456.56112

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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=C4)N=N1

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O3S/c1-17(2)28-21-10-9-19(15-20(21)23-24-28)32(30,31)25(3)16-22(29)27-13-11-26(12-14-27)18-7-5-4-6-8-18/h4-10,15,17H,11-14,16H2,1-3H3