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

Systemtic Name: 4-methyl-3-[3-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]-1-(phenylmethyl)-1-sulfamoyl-indol-1-ium-2-carboxylic acid Openeye Name: 1-benzyl-3-[3-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-4-methyl-1-sulfamoyl-indol-1-ium-2-carboxylic acid CAS Name: 3-[3-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-4-methyl-1-(phenylmethyl)-1-sulfamoyl-2-indol-1-iumcarboxylic acid IUPAC Name: 1-benzyl-3-[3-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-4-methyl-1-sulfamoylindol-1-ium-2-carboxylic acid Traditional Name: 1-benzyl-3-[3-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-4-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=C2C(=CC=C1)[N+](C(=C2CCCNCC(COC3=CC=CC=C3)O)C(=O)O)(CC4=CC=CC=C4)S(=O)(=O)N

Isomeric SMILES

CC1=C2C(=CC=C1)[N+](C(=C2CCCNCC(COC3=CC=CC=C3)O)C(=O)O)(CC4=CC=CC=C4)S(=O)(=O)N

InChI

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