2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-methoxy-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-methoxy-1H-indol-3-yl)propanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-methoxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-methoxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-methoxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-methoxy-1H-indol-3-yl)propionic acid Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6S/c1-3-4-11-30-16-5-8-18(9-6-16)31(27,28)24-21(22(25)26)12-15-14-23-20-10-7-17(29-2)13-19(15)20/h5-10,13-14,21,23-24H,11-12H2,1-2H3,(H,25,26)