3-[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-oxidanyl-3-oxidanylidene-propyl]-1-ethyl-indole-5-carboxylic acid

Systemtic Name: 3-[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-oxidanyl-3-oxidanylidene-propyl]-1-ethyl-indole-5-carboxylic acid Openeye Name: 3-[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-hydroxy-3-oxo-propyl]-1-ethyl-indole-5-carboxylic acid CAS Name: 3-[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-hydroxy-3-oxopropyl]-1-ethyl-5-indolecarboxylic acid IUPAC Name: 3-[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-hydroxy-3-oxopropyl]-1-ethylindole-5-carboxylic acid Traditional Name: 3-[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-hydroxy-3-keto-propyl]-1-ethyl-indole-5-carboxylic acid Formula: C24H24N2O7S MolecularWeight: 484.52156

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=CC(=C2)C(=O)O)CC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OCC#CC

Isomeric SMILES

CCN1C=C(C2=C1C=CC(=C2)C(=O)O)CC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OCC#CC

InChI

InChI=1S/C24H24N2O7S/c1-3-5-12-33-18-7-9-19(10-8-18)34(31,32)25-21(24(29)30)14-17-15-26(4-2)22-11-6-16(23(27)28)13-20(17)22/h6-11,13,15,21,25H,4,12,14H2,1-2H3,(H,27,28)(H,29,30)