2-chloranyl-5-[2-[3-[(3-methoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[3-[(3-methoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[[3-[[(3-methoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[[3-(m-anisoylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C25H23ClN2O5S MolecularWeight: 498.97852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C25H23ClN2O5S/c1-3-22(24(30)28-17-10-11-21(26)20(14-17)25(31)32)34-19-9-5-7-16(13-19)27-23(29)15-6-4-8-18(12-15)33-2/h4-14,22H,3H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)