[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H18ClN3O7S2 MolecularWeight: 487.93442

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O7S2/c1-30-16-7-6-14(8-15(16)22(25)26)31(27,28)21-10-18(24)29-11-17(23)20-9-12-2-4-13(19)5-3-12/h2-8,21H,9-11H2,1H3,(H,20,23)