3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-1-butanone IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-[4-(2-naphthylsulfonyl)piperazino]butan-1-one Formula: C23H27BrN4O3S MolecularWeight: 519.45448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C)Br

Isomeric SMILES

CC1=C(C(=NN1C(C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C)Br

InChI

InChI=1S/C23H27BrN4O3S/c1-16(28-18(3)23(24)17(2)25-28)14-22(29)26-10-12-27(13-11-26)32(30,31)21-9-8-19-6-4-5-7-20(19)15-21/h4-9,15-16H,10-14H2,1-3H3