2-(2-dimethylaminoethylsulfamoyl)-N-ethyl-4-nitro-benzamide hydrate hydrochloride

Systemtic Name: 2-(2-dimethylaminoethylsulfamoyl)-N-ethyl-4-nitro-benzamide hydrate hydrochloride Openeye Name: 2-(2-dimethylaminoethylsulfamoyl)-N-ethyl-4-nitro-benzamide hydrate hydrochloride CAS Name: 2-(2-dimethylaminoethylsulfamoyl)-N-ethyl-4-nitrobenzamide hydrate hydrochloride IUPAC Name: 2-(2-dimethylaminoethylsulfamoyl)-N-ethyl-4-nitrobenzamide hydrate hydrochloride Traditional Name: 2-(2-dimethylaminoethylsulfamoyl)-N-ethyl-4-nitro-benzamide hydrate hydrochloride Formula: C13H23ClN4O6S MolecularWeight: 398.86292

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCN(C)C.O.Cl

Isomeric SMILES

CCNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCN(C)C.O.Cl

InChI

InChI=1S/C13H20N4O5S.ClH.H2O/c1-4-14-13(18)11-6-5-10(17(19)20)9-12(11)23(21,22)15-7-8-16(2)3;;/h5-6,9,15H,4,7-8H2,1-3H3,(H,14,18);1H;1H2