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

Systemtic Name: 1-(ethylamino)-4-(2-hydroxyethylamino)-3-methyl-5-[2-(methylsulfonylamino)phenyl]indole-2-carboxylic acid Openeye Name: 1-(ethylamino)-4-(2-hydroxyethylamino)-5-[2-(methanesulfonamido)phenyl]-3-methyl-indole-2-carboxylic acid CAS Name: 1-(ethylamino)-4-(2-hydroxyethylamino)-5-[2-(methanesulfonamido)phenyl]-3-methyl-2-indolecarboxylic acid IUPAC Name: 1-(ethylamino)-4-(2-hydroxyethylamino)-5-[2-(methanesulfonamido)phenyl]-3-methylindole-2-carboxylic acid Traditional Name: 1-(ethylamino)-4-(2-hydroxyethylamino)-5-[2-(methanesulfonamido)phenyl]-3-methyl-indole-2-carboxylic acid Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCNN1C2=C(C(=C1C(=O)O)C)C(=C(C=C2)C3=CC=CC=C3NS(=O)(=O)C)NCCO

Isomeric SMILES

CCNN1C2=C(C(=C1C(=O)O)C)C(=C(C=C2)C3=CC=CC=C3NS(=O)(=O)C)NCCO

InChI

InChI=1S/C21H26N4O5S/c1-4-23-25-17-10-9-15(14-7-5-6-8-16(14)24-31(3,29)30)19(22-11-12-26)18(17)13(2)20(25)21(27)28/h5-10,22-24,26H,4,11-12H2,1-3H3,(H,27,28)