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

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-one Traditional Name: 1-(4-besylpiperazino)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propan-1-one Formula: C18H23BrN4O3S MolecularWeight: 455.36922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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