3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C19H21N5O7S MolecularWeight: 463.46434

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCCCN2C3=CC=CC=C3NC2=O)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCCCN2C3=CC=CC=C3NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O7S/c1-20-14-8-7-13(11-17(14)24(27)28)32(29,30)21-12-18(25)31-10-4-9-23-16-6-3-2-5-15(16)22-19(23)26/h2-3,5-8,11,20-21H,4,9-10,12H2,1H3,(H,22,26)