methyl 2-[2-dimethylaminoethyl(2-hydroxyethyl)sulfamoyl]-6-nitro-benzoate hydrochloride

Systemtic Name: methyl 2-[2-dimethylaminoethyl(2-hydroxyethyl)sulfamoyl]-6-nitro-benzoate hydrochloride Openeye Name: methyl 2-[2-dimethylaminoethyl(2-hydroxyethyl)sulfamoyl]-6-nitro-benzoate hydrochloride CAS Name: 2-[2-dimethylaminoethyl(2-hydroxyethyl)sulfamoyl]-6-nitrobenzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-[2-dimethylaminoethyl(2-hydroxyethyl)sulfamoyl]-6-nitrobenzoate hydrochloride Traditional Name: 2-[2-dimethylaminoethyl(2-hydroxyethyl)sulfamoyl]-6-nitro-benzoic acid methyl ester hydrochloride Formula: C14H22ClN3O7S MolecularWeight: 411.85838

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CCO)S(=O)(=O)C1=CC=CC(=C1C(=O)OC)[N+](=O)[O-].Cl

Isomeric SMILES

CN(C)CCN(CCO)S(=O)(=O)C1=CC=CC(=C1C(=O)OC)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H21N3O7S.ClH/c1-15(2)7-8-16(9-10-18)25(22,23)12-6-4-5-11(17(20)21)13(12)14(19)24-3;/h4-6,18H,7-10H2,1-3H3;1H