2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(7-methyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(7-methyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(7-methyl-1H-indol-3-yl)propanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(7-methyl-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(7-methyl-1H-indol-3-yl)propanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(7-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=C3C)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=C2C=CC=C3C)C(=O)O

InChI

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