2H-benzotriazol-5-yl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 2H-benzotriazol-5-yl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 2H-benzotriazol-5-yl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 2H-benzotriazol-5-yl-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 2H-benzotriazol-5-yl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 2H-benzotriazol-5-yl-[4-(2,5-dimethylphenyl)sulfonylpiperazino]methanone Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=NNN=C4C=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=NNN=C4C=C3

InChI

InChI=1S/C19H21N5O3S/c1-13-3-4-14(2)18(11-13)28(26,27)24-9-7-23(8-10-24)19(25)15-5-6-16-17(12-15)21-22-20-16/h3-6,11-12H,7-10H2,1-2H3,(H,20,21,22)