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

Systemtic Name: 4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide Openeye Name: 4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide CAS Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[3-(4-methyl-1-piperazinyl)propyl]benzamide IUPAC Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide Traditional Name: 4-[(N-mesyl-3,4-dimethyl-anilino)methyl]-N-[3-(4-methylpiperazino)propyl]benzamide Formula: C25H36N4O3S MolecularWeight: 472.64334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCCCN3CCN(CC3)C)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCCCN3CCN(CC3)C)S(=O)(=O)C)C

InChI

InChI=1S/C25H36N4O3S/c1-20-6-11-24(18-21(20)2)29(33(4,31)32)19-22-7-9-23(10-8-22)25(30)26-12-5-13-28-16-14-27(3)15-17-28/h6-11,18H,5,12-17,19H2,1-4H3,(H,26,30)