6-[3-azanyl-3-(2-hydroxyethylamino)-3-pyridin-3-yl-propyl]-1-[(4-sulfamoylphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 6-[3-azanyl-3-(2-hydroxyethylamino)-3-pyridin-3-yl-propyl]-1-[(4-sulfamoylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 6-[3-amino-3-(2-hydroxyethylamino)-3-(3-pyridyl)propyl]-1-[(4-sulfamoylphenyl)methyl]indole-2-carboxylic acid CAS Name: 6-[3-amino-3-(2-hydroxyethylamino)-3-(3-pyridinyl)propyl]-1-[(4-sulfamoylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 6-[3-amino-3-(2-hydroxyethylamino)-3-pyridin-3-ylpropyl]-1-[(4-sulfamoylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 6-[3-amino-3-(2-hydroxyethylamino)-3-(3-pyridyl)propyl]-1-(4-sulfamoylbenzyl)indole-2-carboxylic acid Formula: C26H29N5O5S MolecularWeight: 523.60396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CCC2=CC3=C(C=C2)C=C(N3CC4=CC=C(C=C4)S(=O)(=O)N)C(=O)O)(N)NCCO

Isomeric SMILES

C1=CC(=CN=C1)C(CCC2=CC3=C(C=C2)C=C(N3CC4=CC=C(C=C4)S(=O)(=O)N)C(=O)O)(N)NCCO

InChI

InChI=1S/C26H29N5O5S/c27-26(30-12-13-32,21-2-1-11-29-16-21)10-9-18-3-6-20-15-24(25(33)34)31(23(20)14-18)17-19-4-7-22(8-5-19)37(28,35)36/h1-8,11,14-16,30,32H,9-10,12-13,17,27H2,(H,33,34)(H2,28,35,36)