(2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(1-methylindol-3-yl)propanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN(C3=CC=CC=C32)C)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC2=CN(C3=CC=CC=C32)C)C(=O)O

InChI

InChI=1S/C22H22N2O5S/c1-3-4-13-29-17-9-11-18(12-10-17)30(27,28)23-20(22(25)26)14-16-15-24(2)21-8-6-5-7-19(16)21/h5-12,15,20,23H,13-14H2,1-2H3,(H,25,26)/t20-/m1/s1