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2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(6-methyl-1H-indol-3-yl)propanoic acid

2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(6-methyl-1H-indol-3-yl)propanoic acid

Systemtic Name:2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(6-methyl-1H-indol-3-yl)propanoic acid
Openeye Name:2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(6-methyl-1H-indol-3-yl)propanoic acid
CAS Name:2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(6-methyl-1H-indol-3-yl)propanoic acid
IUPAC Name:2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(6-methyl-1H-indol-3-yl)propanoic acid
Traditional Name:2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(6-methyl-1H-indol-3-yl)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(CC2=CNC3=C2C=CC(=C3)C)C(=O)O


Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=C2C=CC(=C3)C)C(=O)O


InChI

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


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