2-[(4-bromophenyl)-(4-methylphenyl)sulfonyl-amino]-N-[3-(4-methylpiperazin-1-yl)propyl]ethanamide

Systemtic Name: 2-[(4-bromophenyl)-(4-methylphenyl)sulfonyl-amino]-N-[3-(4-methylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-[4-bromo-N-(p-tolylsulfonyl)anilino]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide CAS Name: 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methyl-1-piperazinyl)propyl]acetamide IUPAC Name: 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-(4-bromo-N-tosyl-anilino)-N-[3-(4-methylpiperazino)propyl]acetamide Formula: C23H31BrN4O3S MolecularWeight: 523.48624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCN(CC2)C)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCN(CC2)C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H31BrN4O3S/c1-19-4-10-22(11-5-19)32(30,31)28(21-8-6-20(24)7-9-21)18-23(29)25-12-3-13-27-16-14-26(2)15-17-27/h4-11H,3,12-18H2,1-2H3,(H,25,29)