propan-2-yl 2-(2-dimethylaminoethylsulfamoyl)-6-nitro-benzoate hydrochloride

Systemtic Name: propan-2-yl 2-(2-dimethylaminoethylsulfamoyl)-6-nitro-benzoate hydrochloride Openeye Name: isopropyl 2-(2-dimethylaminoethylsulfamoyl)-6-nitro-benzoate hydrochloride CAS Name: 2-(2-dimethylaminoethylsulfamoyl)-6-nitrobenzoic acid propan-2-yl ester hydrochloride IUPAC Name: propan-2-yl 2-(2-dimethylaminoethylsulfamoyl)-6-nitrobenzoate hydrochloride Traditional Name: 2-(2-dimethylaminoethylsulfamoyl)-6-nitro-benzoic acid isopropyl ester hydrochloride Formula: C14H22ClN3O6S MolecularWeight: 395.85898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C=CC=C1S(=O)(=O)NCCN(C)C)[N+](=O)[O-].Cl

Isomeric SMILES

CC(C)OC(=O)C1=C(C=CC=C1S(=O)(=O)NCCN(C)C)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H21N3O6S.ClH/c1-10(2)23-14(18)13-11(17(19)20)6-5-7-12(13)24(21,22)15-8-9-16(3)4;/h5-7,10,15H,8-9H2,1-4H3;1H