N'-(4-bromanyl-3-methyl-phenyl)-N-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]ethanediamide

Systemtic Name: N'-(4-bromanyl-3-methyl-phenyl)-N-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]ethanediamide Openeye Name: N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N'-(4-bromo-3-methyl-phenyl)oxamide CAS Name: N-[2-[4-(benzenesulfonyl)-1-piperazinyl]ethyl]-N'-(4-bromo-3-methylphenyl)oxamide IUPAC Name: N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N'-(4-bromo-3-methylphenyl)oxamide Traditional Name: N-[2-(4-besylpiperazino)ethyl]-N'-(4-bromo-3-methyl-phenyl)oxamide Formula: C21H25BrN4O4S MolecularWeight: 509.4166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(=O)NCCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(=O)NCCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C21H25BrN4O4S/c1-16-15-17(7-8-19(16)22)24-21(28)20(27)23-9-10-25-11-13-26(14-12-25)31(29,30)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3,(H,23,27)(H,24,28)