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

Systemtic Name: methyl 1-(2-methylbutyl)-3-[(phenoxysulfonylamino)methyl]indole-5-carboxylate Openeye Name: methyl 1-(2-methylbutyl)-3-[(phenoxysulfonylamino)methyl]indole-5-carboxylate CAS Name: 1-(2-methylbutyl)-3-[(phenoxysulfonylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-methylbutyl)-3-[(phenoxysulfonylamino)methyl]indole-5-carboxylate Traditional Name: 1-(2-methylbutyl)-3-[(phenoxysulfonylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-4-16(2)14-24-15-18(20-12-17(22(25)28-3)10-11-21(20)24)13-23-30(26,27)29-19-8-6-5-7-9-19/h5-12,15-16,23H,4,13-14H2,1-3H3