[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methanone

Systemtic Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methanone Openeye Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(5-chloro-1,3-dimethyl-pyrazol-4-yl)methanone CAS Name: [4-(3-bromophenyl)sulfonyl-1-piperazinyl]-(5-chloro-1,3-dimethyl-4-pyrazolyl)methanone IUPAC Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone Traditional Name: [4-(3-bromophenyl)sulfonylpiperazino]-(5-chloro-1,3-dimethyl-pyrazol-4-yl)methanone Formula: C16H18BrClN4O3S MolecularWeight: 461.76112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br)Cl)C

InChI

InChI=1S/C16H18BrClN4O3S/c1-11-14(15(18)20(2)19-11)16(23)21-6-8-22(9-7-21)26(24,25)13-5-3-4-12(17)10-13/h3-5,10H,6-9H2,1-2H3