5-[2-[[2-(3-bromophenyl)-2-oxidanyl-ethyl]amino]propyl]-1-[[4-(methylsulfonylamino)phenyl]methyl]indole-2-carboxylic acid

Systemtic Name: 5-[2-[[2-(3-bromophenyl)-2-oxidanyl-ethyl]amino]propyl]-1-[[4-(methylsulfonylamino)phenyl]methyl]indole-2-carboxylic acid Openeye Name: 5-[2-[[2-(3-bromophenyl)-2-hydroxy-ethyl]amino]propyl]-1-[[4-(methanesulfonamido)phenyl]methyl]indole-2-carboxylic acid CAS Name: 5-[2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]propyl]-1-[[4-(methanesulfonamido)phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 5-[2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]propyl]-1-[[4-(methanesulfonamido)phenyl]methyl]indole-2-carboxylic acid Traditional Name: 5-[2-[[2-(3-bromophenyl)-2-hydroxy-ethyl]amino]propyl]-1-[4-(methanesulfonamido)benzyl]indole-2-carboxylic acid Formula: C28H30BrN3O5S MolecularWeight: 600.5239

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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)NS(=O)(=O)C)NCC(C4=CC(=CC=C4)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C28H30BrN3O5S/c1-18(30-16-27(33)21-4-3-5-23(29)14-21)12-20-8-11-25-22(13-20)15-26(28(34)35)32(25)17-19-6-9-24(10-7-19)31-38(2,36)37/h3-11,13-15,18,27,30-31,33H,12,16-17H2,1-2H3,(H,34,35)