N-(2-dimethylaminoethyl)-N-methyl-3-nitro-4-(nitromethyl)benzenesulfonamide hydrochloride

Systemtic Name: N-(2-dimethylaminoethyl)-N-methyl-3-nitro-4-(nitromethyl)benzenesulfonamide hydrochloride Openeye Name: N-(2-dimethylaminoethyl)-N-methyl-3-nitro-4-(nitromethyl)benzenesulfonamide hydrochloride CAS Name: N-(2-dimethylaminoethyl)-N-methyl-3-nitro-4-(nitromethyl)benzenesulfonamide hydrochloride IUPAC Name: N-(2-dimethylaminoethyl)-N-methyl-3-nitro-4-(nitromethyl)benzenesulfonamide hydrochloride Traditional Name: N-(2-dimethylaminoethyl)-N-methyl-3-nitro-4-(nitromethyl)benzenesulfonamide hydrochloride Formula: C12H19ClN4O6S MolecularWeight: 382.82046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O6S.ClH/c1-13(2)6-7-14(3)23(21,22)11-5-4-10(9-15(17)18)12(8-11)16(19)20;/h4-5,8H,6-7,9H2,1-3H3;1H