5,6-dimethoxy-3-[[4-(2-methylpropyl)phenyl]sulfonylamino]-1H-indole-2-carboxylic acid

Systemtic Name: 5,6-dimethoxy-3-[[4-(2-methylpropyl)phenyl]sulfonylamino]-1H-indole-2-carboxylic acid Openeye Name: 3-[(4-isobutylphenyl)sulfonylamino]-5,6-dimethoxy-1H-indole-2-carboxylic acid CAS Name: 5,6-dimethoxy-3-[[4-(2-methylpropyl)phenyl]sulfonylamino]-1H-indole-2-carboxylic acid IUPAC Name: 5,6-dimethoxy-3-[[4-(2-methylpropyl)phenyl]sulfonylamino]-1H-indole-2-carboxylic acid Traditional Name: 3-[(4-isobutylphenyl)sulfonylamino]-5,6-dimethoxy-1H-indole-2-carboxylic acid Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=C(NC3=CC(=C(C=C32)OC)OC)C(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=C(NC3=CC(=C(C=C32)OC)OC)C(=O)O

InChI

InChI=1S/C21H24N2O6S/c1-12(2)9-13-5-7-14(8-6-13)30(26,27)23-19-15-10-17(28-3)18(29-4)11-16(15)22-20(19)21(24)25/h5-8,10-12,22-23H,9H2,1-4H3,(H,24,25)