methyl 3-[[(2-hydroxyphenyl)amino]methyl]-1-(2-phenoxysulfonylbutyl)indole-5-carboxylate

Systemtic Name: methyl 3-[[(2-hydroxyphenyl)amino]methyl]-1-(2-phenoxysulfonylbutyl)indole-5-carboxylate Openeye Name: methyl 3-[(2-hydroxyanilino)methyl]-1-(2-phenoxysulfonylbutyl)indole-5-carboxylate CAS Name: 3-[(2-hydroxyanilino)methyl]-1-(2-phenoxysulfonylbutyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-hydroxyanilino)methyl]-1-(2-phenoxysulfonylbutyl)indole-5-carboxylate Traditional Name: 3-[(2-hydroxyanilino)methyl]-1-(2-phenoxysulfonylbutyl)indole-5-carboxylic acid methyl ester Formula: C27H28N2O6S MolecularWeight: 508.58602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O6S/c1-3-22(36(32,33)35-21-9-5-4-6-10-21)18-29-17-20(16-28-24-11-7-8-12-26(24)30)23-15-19(27(31)34-2)13-14-25(23)29/h4-15,17,22,28,30H,3,16,18H2,1-2H3