2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(1-methylpyrrol-2-yl)pent-4-ynoic acid

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(1-methylpyrrol-2-yl)pent-4-ynoic acid Openeye Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(1-methylpyrrol-2-yl)pent-4-ynoic acid CAS Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(1-methyl-2-pyrrolyl)-4-pentynoic acid IUPAC Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(1-methylpyrrol-2-yl)pent-4-ynoic acid Traditional Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(1-methylpyrrol-2-yl)pent-4-ynoic acid Formula: C23H22N2O5S MolecularWeight: 438.49618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C#CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C=CC=C1C#CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H22N2O5S/c1-25-16-4-6-19(25)5-3-7-22(23(26)27)24-31(28,29)21-14-10-18(11-15-21)17-8-12-20(30-2)13-9-17/h4,6,8-16,22,24H,7H2,1-2H3,(H,26,27)