1,3-dimethyl-6-[3-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]-4-(phenylmethyl)-5-sulfamoyl-indole-2-carboxylic acid

Systemtic Name: 1,3-dimethyl-6-[3-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]-4-(phenylmethyl)-5-sulfamoyl-indole-2-carboxylic acid Openeye Name: 4-benzyl-6-[3-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-1,3-dimethyl-5-sulfamoyl-indole-2-carboxylic acid CAS Name: 6-[3-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-dimethyl-4-(phenylmethyl)-5-sulfamoyl-2-indolecarboxylic acid IUPAC Name: 4-benzyl-6-[3-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-dimethyl-5-sulfamoylindole-2-carboxylic acid Traditional Name: 4-benzyl-6-[3-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-1,3-dimethyl-5-sulfamoyl-indole-2-carboxylic acid Formula: C30H35N3O6S MolecularWeight: 565.6804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=C(C(=C2)CCCNCC(COC3=CC=CC=C3)O)S(=O)(=O)N)CC4=CC=CC=C4)C)C(=O)O

Isomeric SMILES

CC1=C(N(C2=C1C(=C(C(=C2)CCCNCC(COC3=CC=CC=C3)O)S(=O)(=O)N)CC4=CC=CC=C4)C)C(=O)O

InChI

InChI=1S/C30H35N3O6S/c1-20-27-25(16-21-10-5-3-6-11-21)29(40(31,37)38)22(17-26(27)33(2)28(20)30(35)36)12-9-15-32-18-23(34)19-39-24-13-7-4-8-14-24/h3-8,10-11,13-14,17,23,32,34H,9,12,15-16,18-19H2,1-2H3,(H,35,36)(H2,31,37,38)