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

Systemtic Name: methyl 1-[2-(2-hydroxyphenyl)-2-phenoxysulfonyl-ethyl]-3-(methylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-[2-(2-hydroxyphenyl)-2-phenoxysulfonyl-ethyl]-3-(methylaminomethyl)indole-5-carboxylate CAS Name: 1-[2-(2-hydroxyphenyl)-2-phenoxysulfonylethyl]-3-(methylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-hydroxyphenyl)-2-phenoxysulfonylethyl]-3-(methylaminomethyl)indole-5-carboxylate Traditional Name: 1-[2-(2-hydroxyphenyl)-2-phenoxysulfonyl-ethyl]-3-(methylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O6S/c1-27-15-19-16-28(23-13-12-18(14-22(19)23)26(30)33-2)17-25(21-10-6-7-11-24(21)29)35(31,32)34-20-8-4-3-5-9-20/h3-14,16,25,27,29H,15,17H2,1-2H3