[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone

Systemtic Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone Openeye Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone CAS Name: [4-(4-bromophenyl)sulfonyl-1-piperazinyl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone IUPAC Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone Traditional Name: (4-brosylpiperazino)-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone Formula: C21H21BrN4O4S MolecularWeight: 505.38484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN4O4S/c1-30-17-4-2-3-15(13-17)19-14-20(24-23-19)21(27)25-9-11-26(12-10-25)31(28,29)18-7-5-16(22)6-8-18/h2-8,13-14H,9-12H2,1H3,(H,23,24)