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

Systemtic Name: methyl 1-(2-methylpropyl)-3-[(phenoxysulfonylamino)methyl]indole-5-carboxylate Openeye Name: methyl 1-isobutyl-3-[(phenoxysulfonylamino)methyl]indole-5-carboxylate CAS Name: 1-(2-methylpropyl)-3-[(phenoxysulfonylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-methylpropyl)-3-[(phenoxysulfonylamino)methyl]indole-5-carboxylate Traditional Name: 1-isobutyl-3-[(phenoxysulfonylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c1-15(2)13-23-14-17(19-11-16(21(24)27-3)9-10-20(19)23)12-22-29(25,26)28-18-7-5-4-6-8-18/h4-11,14-15,22H,12-13H2,1-3H3