3-methyl-4-[3-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]-1-(phenylmethyl)-1-sulfamoyl-indol-1-ium-2-carboxylic acid

Systemtic Name: 3-methyl-4-[3-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]-1-(phenylmethyl)-1-sulfamoyl-indol-1-ium-2-carboxylic acid Openeye Name: 1-benzyl-4-[3-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-3-methyl-1-sulfamoyl-indol-1-ium-2-carboxylic acid CAS Name: 4-[3-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-3-methyl-1-(phenylmethyl)-1-sulfamoyl-2-indol-1-iumcarboxylic acid IUPAC Name: 1-benzyl-4-[3-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-3-methyl-1-sulfamoylindol-1-ium-2-carboxylic acid Traditional Name: 1-benzyl-4-[3-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-3-methyl-1-sulfamoyl-indol-1-ium-2-carboxylic acid Formula: C29H34N3O6S+ MolecularWeight: 552.66176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](C2=CC=CC(=C12)CCCNCC(COC3=CC=CC=C3)O)(CC4=CC=CC=C4)S(=O)(=O)N)C(=O)O

Isomeric SMILES

CC1=C([N+](C2=CC=CC(=C12)CCCNCC(COC3=CC=CC=C3)O)(CC4=CC=CC=C4)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C29H33N3O6S/c1-21-27-23(13-9-17-31-18-24(33)20-38-25-14-6-3-7-15-25)12-8-16-26(27)32(39(30,36)37,28(21)29(34)35)19-22-10-4-2-5-11-22/h2-8,10-12,14-16,24,31,33H,9,13,17-20H2,1H3,(H2-,30,34,35,36,37)/p+1