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

Systemtic Name: 5-methyl-3-[[4-(2-methylpropyl)phenyl]sulfonylamino]-1H-indole-2-carboxylic acid Openeye Name: 3-[(4-isobutylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylic acid CAS Name: 5-methyl-3-[[4-(2-methylpropyl)phenyl]sulfonylamino]-1H-indole-2-carboxylic acid IUPAC Name: 5-methyl-3-[[4-(2-methylpropyl)phenyl]sulfonylamino]-1H-indole-2-carboxylic acid Traditional Name: 3-[(4-isobutylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NS(=O)(=O)C3=CC=C(C=C3)CC(C)C)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NS(=O)(=O)C3=CC=C(C=C3)CC(C)C)C(=O)O

InChI

InChI=1S/C20H22N2O4S/c1-12(2)10-14-5-7-15(8-6-14)27(25,26)22-18-16-11-13(3)4-9-17(16)21-19(18)20(23)24/h4-9,11-12,21-22H,10H2,1-3H3,(H,23,24)