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

Systemtic Name: 3-[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-oxidanyl-3-oxidanylidene-propyl]-1-methyl-indole-5-carboxylic acid Openeye Name: 3-[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-hydroxy-3-oxo-propyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-hydroxy-3-oxopropyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-hydroxy-3-oxopropyl]-1-methylindole-5-carboxylic acid Traditional Name: 3-[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-hydroxy-3-keto-propyl]-1-methyl-indole-5-carboxylic acid Formula: C23H22N2O7S MolecularWeight: 470.49498

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN(C3=C2C=C(C=C3)C(=O)O)C)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN(C3=C2C=C(C=C3)C(=O)O)C)C(=O)O

InChI

InChI=1S/C23H22N2O7S/c1-3-4-11-32-17-6-8-18(9-7-17)33(30,31)24-20(23(28)29)13-16-14-25(2)21-10-5-15(22(26)27)12-19(16)21/h5-10,12,14,20,24H,11,13H2,1-2H3,(H,26,27)(H,28,29)