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

Systemtic Name: methyl 3-[(phenoxysulfonylamino)methyl]-1-(2-phenoxysulfonylbutyl)indole-5-carboxylate Openeye Name: methyl 3-[(phenoxysulfonylamino)methyl]-1-(2-phenoxysulfonylbutyl)indole-5-carboxylate CAS Name: 3-[(phenoxysulfonylamino)methyl]-1-(2-phenoxysulfonylbutyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(phenoxysulfonylamino)methyl]-1-(2-phenoxysulfonylbutyl)indole-5-carboxylate Traditional Name: 3-[(phenoxysulfonylamino)methyl]-1-(2-phenoxysulfonylbutyl)indole-5-carboxylic acid methyl ester Formula: C27H28N2O8S2 MolecularWeight: 572.64982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNS(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNS(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O8S2/c1-3-24(38(31,32)36-22-10-6-4-7-11-22)19-29-18-21(25-16-20(27(30)35-2)14-15-26(25)29)17-28-39(33,34)37-23-12-8-5-9-13-23/h4-16,18,24,28H,3,17,19H2,1-2H3