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

Systemtic Name: N'-(4-bromanyl-3-methyl-phenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]ethanediamide Openeye Name: N'-(4-bromo-3-methyl-phenyl)-N-[2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]oxamide CAS Name: N'-(4-bromo-3-methylphenyl)-N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethyl]oxamide IUPAC Name: N'-(4-bromo-3-methylphenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]oxamide Traditional Name: N'-(4-bromo-3-methyl-phenyl)-N-[2-(4-tosylpiperazino)ethyl]oxamide Formula: C22H27BrN4O4S MolecularWeight: 523.44318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCNC(=O)C(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCNC(=O)C(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C22H27BrN4O4S/c1-16-3-6-19(7-4-16)32(30,31)27-13-11-26(12-14-27)10-9-24-21(28)22(29)25-18-5-8-20(23)17(2)15-18/h3-8,15H,9-14H2,1-2H3,(H,24,28)(H,25,29)