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

Systemtic Name: 3-[[4-[(3-chloranyl-4-ethoxy-5-methoxy-phenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(3-chloro-4-ethoxy-5-methoxy-benzoyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[(3-chloro-4-ethoxy-5-methoxyphenyl)-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(3-chloro-4-ethoxy-5-methoxy-benzoyl)amino]phenyl]sulfonylamino]propionic acid Formula: C19H21ClN2O7S MolecularWeight: 456.89724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)OC

InChI

InChI=1S/C19H21ClN2O7S/c1-3-29-18-15(20)10-12(11-16(18)28-2)19(25)22-13-4-6-14(7-5-13)30(26,27)21-9-8-17(23)24/h4-7,10-11,21H,3,8-9H2,1-2H3,(H,22,25)(H,23,24)