3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)butan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-butanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(4-bromo-3,5-dimethylpyrazol-1-yl)butan-1-one Traditional Name: 1-(4-besylpiperazino)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)butan-1-one Formula: C19H25BrN4O3S MolecularWeight: 469.3958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=C(C(=NN1C(C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C)Br

InChI

InChI=1S/C19H25BrN4O3S/c1-14(24-16(3)19(20)15(2)21-24)13-18(25)22-9-11-23(12-10-22)28(26,27)17-7-5-4-6-8-17/h4-8,14H,9-13H2,1-3H3