3-[[4-(methylsulfanylcarbamoylamino)-2-(2-naphthalen-1-ylethoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[4-(methylsulfanylcarbamoylamino)-2-(2-naphthalen-1-ylethoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-(methylsulfanylcarbamoylamino)-2-[2-(1-naphthyl)ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[4-[[[(methylthio)amino]-oxomethyl]amino]-2-[2-(1-naphthalenyl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[4-(methylsulfanylcarbamoylamino)-2-(2-naphthalen-1-ylethoxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[4-[(methylthio)carbamoylamino]-2-[2-(1-naphthyl)ethoxy]phenyl]sulfonylamino]butyric acid Formula: C24H25N3O7S2 MolecularWeight: 531.6012

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Descriptors Computed from Structure

Canonical SMILES:

CSNC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CSNC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C24H25N3O7S2/c1-35-26-24(31)25-18-9-10-22(36(32,33)27-19(15-28)14-23(29)30)21(13-18)34-12-11-17-7-4-6-16-5-2-3-8-20(16)17/h2-10,13,15,19,27H,11-12,14H2,1H3,(H,29,30)(H2,25,26,31)