(5-chloranyl-1-methyl-imidazol-2-yl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C14H16ClN5O6S MolecularWeight: 417.82474

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=NC=C(N2C)Cl)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=NC=C(N2C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H16ClN5O6S/c1-16-10-4-3-9(5-11(10)20(22)23)27(24,25)18-7-14(21)26-8-13-17-6-12(15)19(13)2/h3-6,16,18H,7-8H2,1-2H3