[4-(4-bromophenyl)sulfonyl-3-nitro-phenyl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(4-bromophenyl)sulfonyl-3-nitro-phenyl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone Openeye Name: [4-(4-bromophenyl)sulfonyl-3-nitro-phenyl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone CAS Name: [4-(4-bromophenyl)sulfonyl-3-nitrophenyl]-[4-(2,5-dimethylphenyl)-1-piperazinyl]methanone IUPAC Name: [4-(4-bromophenyl)sulfonyl-3-nitrophenyl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone Traditional Name: (4-brosyl-3-nitro-phenyl)-[4-(2,5-dimethylphenyl)piperazino]methanone Formula: C25H24BrN3O5S MolecularWeight: 558.44416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C25H24BrN3O5S/c1-17-3-4-18(2)22(15-17)27-11-13-28(14-12-27)25(30)19-5-10-24(23(16-19)29(31)32)35(33,34)21-8-6-20(26)7-9-21/h3-10,15-16H,11-14H2,1-2H3