ethyl 3-[2-(4-methylphenyl)sulfonyloxyethyl]-5-(1-sulfamoylethyl)-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[2-(4-methylphenyl)sulfonyloxyethyl]-5-(1-sulfamoylethyl)-1H-indole-2-carboxylate Openeye Name: ethyl 3-[2-(p-tolylsulfonyloxy)ethyl]-5-(1-sulfamoylethyl)-1H-indole-2-carboxylate CAS Name: 3-[2-(4-methylphenyl)sulfonyloxyethyl]-5-(1-sulfamoylethyl)-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-methylphenyl)sulfonyloxyethyl]-5-(1-sulfamoylethyl)-1H-indole-2-carboxylate Traditional Name: 5-(1-sulfamoylethyl)-3-(2-tosyloxyethyl)-1H-indole-2-carboxylic acid ethyl ester Formula: C22H26N2O7S2 MolecularWeight: 494.58104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C(C)S(=O)(=O)N)CCOS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C(C)S(=O)(=O)N)CCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H26N2O7S2/c1-4-30-22(25)21-18(11-12-31-33(28,29)17-8-5-14(2)6-9-17)19-13-16(7-10-20(19)24-21)15(3)32(23,26)27/h5-10,13,15,24H,4,11-12H2,1-3H3,(H2,23,26,27)