5-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]propyl]-1-[(4-sulfamoylphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 5-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]propyl]-1-[(4-sulfamoylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 5-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]-1-[(4-sulfamoylphenyl)methyl]indole-2-carboxylic acid CAS Name: 5-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]-1-[(4-sulfamoylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 5-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]-1-[(4-sulfamoylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 5-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]-1-(4-sulfamoylbenzyl)indole-2-carboxylic acid Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC=C(C=C3)S(=O)(=O)N)NCC(C4=CC=CC=C4)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC=C(C=C3)S(=O)(=O)N)NCC(C4=CC=CC=C4)O

InChI

InChI=1S/C27H29N3O5S/c1-18(29-16-26(31)21-5-3-2-4-6-21)13-20-9-12-24-22(14-20)15-25(27(32)33)30(24)17-19-7-10-23(11-8-19)36(28,34)35/h2-12,14-15,18,26,29,31H,13,16-17H2,1H3,(H,32,33)(H2,28,34,35)