2-(benzotriazol-1-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-1-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1-benzotriazolyl)-1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C4=CC=CC=C4N=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C20H23N5O3S/c1-15-7-8-19(16(2)13-15)29(27,28)24-11-9-23(10-12-24)20(26)14-25-18-6-4-3-5-17(18)21-22-25/h3-8,13H,9-12,14H2,1-2H3