methyl 3-(phenylazanylmethyl)-1-[3-phenyl-2-(phenylsulfonyl)propyl]indole-5-carboxylate

Systemtic Name: methyl 3-(phenylazanylmethyl)-1-[3-phenyl-2-(phenylsulfonyl)propyl]indole-5-carboxylate Openeye Name: methyl 3-(anilinomethyl)-1-[2-(benzenesulfonyl)-3-phenyl-propyl]indole-5-carboxylate CAS Name: 3-(anilinomethyl)-1-[2-(benzenesulfonyl)-3-phenylpropyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(anilinomethyl)-1-[2-(benzenesulfonyl)-3-phenylpropyl]indole-5-carboxylate Traditional Name: 3-(anilinomethyl)-1-(2-besyl-3-phenyl-propyl)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=C2CNC3=CC=CC=C3)CC(CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C=C2CNC3=CC=CC=C3)CC(CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

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