1-ethoxy-4-(2-hydroxyethylamino)-3-methyl-5-[2-(methylsulfonylamino)phenyl]indole-2-carboxylic acid

Systemtic Name: 1-ethoxy-4-(2-hydroxyethylamino)-3-methyl-5-[2-(methylsulfonylamino)phenyl]indole-2-carboxylic acid Openeye Name: 1-ethoxy-4-(2-hydroxyethylamino)-5-[2-(methanesulfonamido)phenyl]-3-methyl-indole-2-carboxylic acid CAS Name: 1-ethoxy-4-(2-hydroxyethylamino)-5-[2-(methanesulfonamido)phenyl]-3-methyl-2-indolecarboxylic acid IUPAC Name: 1-ethoxy-4-(2-hydroxyethylamino)-5-[2-(methanesulfonamido)phenyl]-3-methylindole-2-carboxylic acid Traditional Name: 1-ethoxy-4-(2-hydroxyethylamino)-5-[2-(methanesulfonamido)phenyl]-3-methyl-indole-2-carboxylic acid Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCON1C2=C(C(=C1C(=O)O)C)C(=C(C=C2)C3=CC=CC=C3NS(=O)(=O)C)NCCO

Isomeric SMILES

CCON1C2=C(C(=C1C(=O)O)C)C(=C(C=C2)C3=CC=CC=C3NS(=O)(=O)C)NCCO

InChI

InChI=1S/C21H25N3O6S/c1-4-30-24-17-10-9-15(14-7-5-6-8-16(14)23-31(3,28)29)19(22-11-12-25)18(17)13(2)20(24)21(26)27/h5-10,22-23,25H,4,11-12H2,1-3H3,(H,26,27)