1-butan-2-yl-N-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-methyl-benzotriazole-5-sulfonamide

Systemtic Name: 1-butan-2-yl-N-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-methyl-benzotriazole-5-sulfonamide Openeye Name: N-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-N-methyl-1-sec-butyl-benzotriazole-5-sulfonamide CAS Name: 1-butan-2-yl-N-[2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-N-methyl-5-benzotriazolesulfonamide IUPAC Name: 1-butan-2-yl-N-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzotriazole-5-sulfonamide Traditional Name: N-[2-[4-(2,5-dimethylphenyl)piperazino]-2-keto-ethyl]-N-methyl-1-sec-butyl-benzotriazole-5-sulfonamide Formula: C25H34N6O3S MolecularWeight: 498.64086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N6O3S/c1-6-20(4)31-23-10-9-21(16-22(23)26-27-31)35(33,34)28(5)17-25(32)30-13-11-29(12-14-30)24-15-18(2)7-8-19(24)3/h7-10,15-16,20H,6,11-14,17H2,1-5H3