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

Systemtic Name: N-[2-[3-(phenylmethyl)piperazin-1-yl]-4-(phenylsulfonyl)phenyl]sulfamoyl bromide Openeye Name: N-[4-(benzenesulfonyl)-2-(3-benzylpiperazin-1-yl)phenyl]sulfamoyl bromide CAS Name: N-[4-(benzenesulfonyl)-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]sulfamoyl bromide IUPAC Name: N-[4-(benzenesulfonyl)-2-(3-benzylpiperazin-1-yl)phenyl]sulfamoyl bromide Traditional Name: N-[2-(3-benzylpiperazino)-4-besyl-phenyl]sulfamoyl bromide Formula: C23H24BrN3O4S2 MolecularWeight: 550.48836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)C4=CC=CC=C4)NS(=O)(=O)Br

Isomeric SMILES

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)C4=CC=CC=C4)NS(=O)(=O)Br

InChI

InChI=1S/C23H24BrN3O4S2/c24-33(30,31)26-22-12-11-21(32(28,29)20-9-5-2-6-10-20)16-23(22)27-14-13-25-19(17-27)15-18-7-3-1-4-8-18/h1-12,16,19,25-26H,13-15,17H2