ethyl 3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(methylsulfamoylmethyl)phenyl]methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(methylsulfamoylmethyl)benzyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)CS(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)CS(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7S/c1-3-29-19(24)16-8-15(9-17(10-16)22(25)26)18(23)21-11-13-4-6-14(7-5-13)12-30(27,28)20-2/h4-10,20H,3,11-12H2,1-2H3,(H,21,23)