3-[2-[3-(methylsulfonylamino)-4-oxidanyl-phenyl]ethylamino]-2-oxidanyl-1-propyl-indole-6-carboxylic acid

Systemtic Name: 3-[2-[3-(methylsulfonylamino)-4-oxidanyl-phenyl]ethylamino]-2-oxidanyl-1-propyl-indole-6-carboxylic acid Openeye Name: 2-hydroxy-3-[2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethylamino]-1-propyl-indole-6-carboxylic acid CAS Name: 2-hydroxy-3-[2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethylamino]-1-propyl-6-indolecarboxylic acid IUPAC Name: 2-hydroxy-3-[2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethylamino]-1-propylindole-6-carboxylic acid Traditional Name: 2-hydroxy-3-[2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethylamino]-1-propyl-indole-6-carboxylic acid Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)C(=O)O)C(=C1O)NCCC3=CC(=C(C=C3)O)NS(=O)(=O)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)C(=O)O)C(=C1O)NCCC3=CC(=C(C=C3)O)NS(=O)(=O)C

InChI

InChI=1S/C21H25N3O6S/c1-3-10-24-17-12-14(21(27)28)5-6-15(17)19(20(24)26)22-9-8-13-4-7-18(25)16(11-13)23-31(2,29)30/h4-7,11-12,22-23,25-26H,3,8-10H2,1-2H3,(H,27,28)