N-[[3-[3-[(3-methylpiperazin-1-yl)methyl]phenyl]phenyl]methyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[[3-[3-[(3-methylpiperazin-1-yl)methyl]phenyl]phenyl]methyl]-3-methylsulfonyl-benzamide Openeye Name: N-[[3-[3-[(3-methylpiperazin-1-yl)methyl]phenyl]phenyl]methyl]-3-methylsulfonyl-benzamide CAS Name: N-[[3-[3-[(3-methyl-1-piperazinyl)methyl]phenyl]phenyl]methyl]-3-methylsulfonylbenzamide IUPAC Name: N-[[3-[3-[(3-methylpiperazin-1-yl)methyl]phenyl]phenyl]methyl]-3-methylsulfonylbenzamide Traditional Name: 3-mesyl-N-[3-[3-[(3-methylpiperazino)methyl]phenyl]benzyl]benzamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)CC2=CC=CC(=C2)C3=CC(=CC=C3)CNC(=O)C4=CC(=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC1CN(CCN1)CC2=CC=CC(=C2)C3=CC(=CC=C3)CNC(=O)C4=CC(=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C27H31N3O3S/c1-20-18-30(13-12-28-20)19-22-7-4-9-24(15-22)23-8-3-6-21(14-23)17-29-27(31)25-10-5-11-26(16-25)34(2,32)33/h3-11,14-16,20,28H,12-13,17-19H2,1-2H3,(H,29,31)