1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one

Systemtic Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one Openeye Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one CAS Name: 1-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-3-(3,5-dimethyl-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(3-bromophenyl)sulfonylpiperazino]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one Formula: C18H23BrN4O3S MolecularWeight: 455.36922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br)C

InChI

InChI=1S/C18H23BrN4O3S/c1-14-12-15(2)23(20-14)7-6-18(24)21-8-10-22(11-9-21)27(25,26)17-5-3-4-16(19)13-17/h3-5,12-13H,6-11H2,1-2H3