methyl 1-(2-phenoxysulfonylbutyl)-3-(phenylazanylmethyl)indole-5-carboxylate

Systemtic Name: methyl 1-(2-phenoxysulfonylbutyl)-3-(phenylazanylmethyl)indole-5-carboxylate Openeye Name: methyl 3-(anilinomethyl)-1-(2-phenoxysulfonylbutyl)indole-5-carboxylate CAS Name: 3-(anilinomethyl)-1-(2-phenoxysulfonylbutyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(anilinomethyl)-1-(2-phenoxysulfonylbutyl)indole-5-carboxylate Traditional Name: 3-(anilinomethyl)-1-(2-phenoxysulfonylbutyl)indole-5-carboxylic acid methyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O5S/c1-3-24(35(31,32)34-23-12-8-5-9-13-23)19-29-18-21(17-28-22-10-6-4-7-11-22)25-16-20(27(30)33-2)14-15-26(25)29/h4-16,18,24,28H,3,17,19H2,1-2H3