N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl(p-tolylsulfonyl)amino]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(4-methylphenyl)sulfonylamino]benzamide Traditional Name: 2-[benzyl(tosyl)amino]-N-piperonyl-benzamide Formula: C29H26N2O5S MolecularWeight: 514.59214

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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)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H26N2O5S/c1-21-11-14-24(15-12-21)37(33,34)31(19-22-7-3-2-4-8-22)26-10-6-5-9-25(26)29(32)30-18-23-13-16-27-28(17-23)36-20-35-27/h2-17H,18-20H2,1H3,(H,30,32)