methyl 1-[2-(2-hydroxyphenyl)-2-phenoxysulfonyl-ethyl]-3-(phenylazanylmethyl)indole-5-carboxylate

Systemtic Name: methyl 1-[2-(2-hydroxyphenyl)-2-phenoxysulfonyl-ethyl]-3-(phenylazanylmethyl)indole-5-carboxylate Openeye Name: methyl 3-(anilinomethyl)-1-[2-(2-hydroxyphenyl)-2-phenoxysulfonyl-ethyl]indole-5-carboxylate CAS Name: 3-(anilinomethyl)-1-[2-(2-hydroxyphenyl)-2-phenoxysulfonylethyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(anilinomethyl)-1-[2-(2-hydroxyphenyl)-2-phenoxysulfonylethyl]indole-5-carboxylate Traditional Name: 3-(anilinomethyl)-1-[2-(2-hydroxyphenyl)-2-phenoxysulfonyl-ethyl]indole-5-carboxylic acid methyl ester Formula: C31H28N2O6S MolecularWeight: 556.62882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C=C2CNC3=CC=CC=C3)CC(C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C=C2CNC3=CC=CC=C3)CC(C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C31H28N2O6S/c1-38-31(35)22-16-17-28-27(18-22)23(19-32-24-10-4-2-5-11-24)20-33(28)21-30(26-14-8-9-15-29(26)34)40(36,37)39-25-12-6-3-7-13-25/h2-18,20,30,32,34H,19,21H2,1H3