methyl 3-[[(phenylmethyl)amino]methyl]-1-[2-phenyl-2-(phenylsulfonyl)ethyl]indole-5-carboxylate

Systemtic Name: methyl 3-[[(phenylmethyl)amino]methyl]-1-[2-phenyl-2-(phenylsulfonyl)ethyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)-2-phenyl-ethyl]-3-[(benzylamino)methyl]indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)-2-phenylethyl]-3-[[(phenylmethyl)amino]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)-2-phenylethyl]-3-[(benzylamino)methyl]indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(2-besyl-2-phenyl-ethyl)indole-5-carboxylic acid methyl ester Formula: C32H30N2O4S MolecularWeight: 538.6566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C=C2CNCC3=CC=CC=C3)CC(C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C=C2CNCC3=CC=CC=C3)CC(C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H30N2O4S/c1-38-32(35)26-17-18-30-29(19-26)27(21-33-20-24-11-5-2-6-12-24)22-34(30)23-31(25-13-7-3-8-14-25)39(36,37)28-15-9-4-10-16-28/h2-19,22,31,33H,20-21,23H2,1H3