N-[(3-methylphenyl)-phenyl-methyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-[(3-methylphenyl)-phenyl-methyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[m-tolyl(phenyl)methyl]benzamide CAS Name: N-[(3-methylphenyl)-phenylmethyl]-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[(3-methylphenyl)-phenylmethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: 3-[(4-mesylpiperazino)methyl]-N-[m-tolyl(phenyl)methyl]benzamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)CN4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)CN4CCN(CC4)S(=O)(=O)C

InChI

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