2H-benzotriazol-5-yl-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 2H-benzotriazol-5-yl-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 2H-benzotriazol-5-yl-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 2H-benzotriazol-5-yl-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 2H-benzotriazol-5-yl-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 2H-benzotriazol-5-yl-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazino]methanone Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=NNN=C4C=C3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=NNN=C4C=C3)C)C(C)(C)C

InChI

InChI=1S/C23H29N5O3S/c1-15-12-18(23(3,4)5)13-16(2)21(15)32(30,31)28-10-8-27(9-11-28)22(29)17-6-7-19-20(14-17)25-26-24-19/h6-7,12-14H,8-11H2,1-5H3,(H,24,25,26)