methyl 2-[[bis(phenylmethyl)amino]methyl]-1-(4-methylphenyl)sulfonyl-indole-5-carboxylate

Systemtic Name: methyl 2-[[bis(phenylmethyl)amino]methyl]-1-(4-methylphenyl)sulfonyl-indole-5-carboxylate Openeye Name: methyl 2-[(dibenzylamino)methyl]-1-(p-tolylsulfonyl)indole-5-carboxylate CAS Name: 2-[[bis(phenylmethyl)amino]methyl]-1-(4-methylphenyl)sulfonyl-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(dibenzylamino)methyl]-1-(4-methylphenyl)sulfonylindole-5-carboxylate Traditional Name: 2-[(dibenzylamino)methyl]-1-tosyl-indole-5-carboxylic acid methyl ester Formula: C32H30N2O4S MolecularWeight: 538.6566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)C(=O)OC)C=C2CN(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)C(=O)OC)C=C2CN(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C32H30N2O4S/c1-24-13-16-30(17-14-24)39(36,37)34-29(20-28-19-27(32(35)38-2)15-18-31(28)34)23-33(21-25-9-5-3-6-10-25)22-26-11-7-4-8-12-26/h3-20H,21-23H2,1-2H3