[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(5-chloranylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(5-chloranylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-[(5-chloro-2-thienyl)sulfonylamino]benzoate CAS Name: 4-[(5-chloro-2-thiophenyl)sulfonylamino]benzoic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 4-[(5-chloro-2-thienyl)sulfonylamino]benzoic acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C21H18ClN3O8S2 MolecularWeight: 539.96592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H18ClN3O8S2/c1-12(20(26)23-16-11-15(25(28)29)7-8-17(16)32-2)33-21(27)13-3-5-14(6-4-13)24-35(30,31)19-10-9-18(22)34-19/h3-12,24H,1-2H3,(H,23,26)