2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1H-indol-3-yl)-2-methyl-propanoic acid

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1H-indol-3-yl)-2-methyl-propanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1H-indol-3-yl)-2-methyl-propanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1H-indol-3-yl)-2-methylpropanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1H-indol-3-yl)-2-methylpropanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1H-indol-3-yl)-2-methyl-propionic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(C)(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(C)(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C22H22N2O5S/c1-3-4-13-29-17-9-11-18(12-10-17)30(27,28)24-22(2,21(25)26)14-16-15-23-20-8-6-5-7-19(16)20/h5-12,15,23-24H,13-14H2,1-2H3,(H,25,26)