3-[[4-[(5-methyl-4-propyl-thiophen-2-yl)carbonylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[(5-methyl-4-propyl-thiophen-2-yl)carbonylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(5-methyl-4-propyl-thiophene-2-carbonyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[(5-methyl-4-propyl-2-thiophenyl)-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(5-methyl-4-propylthiophene-2-carbonyl)amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(5-methyl-4-propyl-thiophene-2-carbonyl)amino]phenyl]sulfonylamino]propionic acid Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)C

InChI

InChI=1S/C18H22N2O5S2/c1-3-4-13-11-16(26-12(13)2)18(23)20-14-5-7-15(8-6-14)27(24,25)19-10-9-17(21)22/h5-8,11,19H,3-4,9-10H2,1-2H3,(H,20,23)(H,21,22)