N-[4-methyl-2-[3-(phenylsulfonyl)piperazin-1-yl]phenyl]sulfamoyl bromide

Systemtic Name: N-[4-methyl-2-[3-(phenylsulfonyl)piperazin-1-yl]phenyl]sulfamoyl bromide Openeye Name: N-[2-[3-(benzenesulfonyl)piperazin-1-yl]-4-methyl-phenyl]sulfamoyl bromide CAS Name: N-[2-[3-(benzenesulfonyl)-1-piperazinyl]-4-methylphenyl]sulfamoyl bromide IUPAC Name: N-[2-[3-(benzenesulfonyl)piperazin-1-yl]-4-methylphenyl]sulfamoyl bromide Traditional Name: N-[2-(3-besylpiperazino)-4-methyl-phenyl]sulfamoyl bromide Formula: C17H20BrN3O4S2 MolecularWeight: 474.3924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)Br)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)Br)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H20BrN3O4S2/c1-13-7-8-15(20-27(18,24)25)16(11-13)21-10-9-19-17(12-21)26(22,23)14-5-3-2-4-6-14/h2-8,11,17,19-20H,9-10,12H2,1H3