1-(4-bromophenyl)sulfonyl-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazine

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazine Openeye Name: 1-(4-bromophenyl)sulfonyl-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazine CAS Name: 1-(4-bromophenyl)sulfonyl-4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]piperazine IUPAC Name: 1-(4-bromophenyl)sulfonyl-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazine Traditional Name: 1-brosyl-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazine Formula: C21H22BrN5O4S MolecularWeight: 520.39948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-])C

InChI

InChI=1S/C21H22BrN5O4S/c1-15-13-16(2)26(23-15)21-14-18(5-8-20(21)27(28)29)24-9-11-25(12-10-24)32(30,31)19-6-3-17(22)4-7-19/h3-8,13-14H,9-12H2,1-2H3