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

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide Openeye Name: 2-[benzyl(p-tolylsulfonyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide CAS Name: 2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-N-[3-(4-methyl-1-piperazinyl)propyl]benzamide IUPAC Name: 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide Traditional Name: 2-[benzyl(tosyl)amino]-N-[3-(4-methylpiperazino)propyl]benzamide Formula: C29H36N4O3S MolecularWeight: 520.68614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)NCCCN4CCN(CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)NCCCN4CCN(CC4)C

InChI

InChI=1S/C29H36N4O3S/c1-24-13-15-26(16-14-24)37(35,36)33(23-25-9-4-3-5-10-25)28-12-7-6-11-27(28)29(34)30-17-8-18-32-21-19-31(2)20-22-32/h3-7,9-16H,8,17-23H2,1-2H3,(H,30,34)