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

Systemtic Name: 4-[(2-methylphenyl)methyl-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide Openeye Name: N-[3-(4-methylpiperazin-1-yl)propyl]-4-[methylsulfonyl(o-tolylmethyl)amino]benzamide CAS Name: 4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-[3-(4-methyl-1-piperazinyl)propyl]benzamide IUPAC Name: 4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide Traditional Name: 4-[mesyl-(2-methylbenzyl)amino]-N-[3-(4-methylpiperazino)propyl]benzamide Formula: C24H34N4O3S MolecularWeight: 458.61676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)NCCCN3CCN(CC3)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)NCCCN3CCN(CC3)C)S(=O)(=O)C

InChI

InChI=1S/C24H34N4O3S/c1-20-7-4-5-8-22(20)19-28(32(3,30)31)23-11-9-21(10-12-23)24(29)25-13-6-14-27-17-15-26(2)16-18-27/h4-5,7-12H,6,13-19H2,1-3H3,(H,25,29)