3-[[4-[(3-chloranyl-5-methoxy-4-propoxy-phenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[(3-chloranyl-5-methoxy-4-propoxy-phenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(3-chloro-5-methoxy-4-propoxy-benzoyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[(3-chloro-5-methoxy-4-propoxyphenyl)-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(3-chloro-5-methoxy-4-propoxy-benzoyl)amino]phenyl]sulfonylamino]propionic acid Formula: C20H23ClN2O7S MolecularWeight: 470.92382

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)OC

InChI

InChI=1S/C20H23ClN2O7S/c1-3-10-30-19-16(21)11-13(12-17(19)29-2)20(26)23-14-4-6-15(7-5-14)31(27,28)22-9-8-18(24)25/h4-7,11-12,22H,3,8-10H2,1-2H3,(H,23,26)(H,24,25)