methyl 3-[[4-[(3-nitrophenyl)sulfonylamino]phenyl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[4-[(3-nitrophenyl)sulfonylamino]phenyl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[4-[(3-nitrophenyl)sulfonylamino]benzoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[4-[(3-nitrophenyl)sulfonylamino]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[4-[(3-nitrophenyl)sulfonylamino]benzoyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[4-[(3-nitrophenyl)sulfonylamino]benzoyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C21H19N3O7S2 MolecularWeight: 489.52146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O7S2/c1-31-20(25)13-18(19-6-3-11-32-19)22-21(26)14-7-9-15(10-8-14)23-33(29,30)17-5-2-4-16(12-17)24(27)28/h2-12,18,23H,13H2,1H3,(H,22,26)