N-(2-azanylethyl)-2-chloranyl-4-nitro-benzenesulfonamide; ethanoic acid

Systemtic Name: N-(2-azanylethyl)-2-chloranyl-4-nitro-benzenesulfonamide; ethanoic acid Openeye Name: acetic acid; N-(2-aminoethyl)-2-chloro-4-nitro-benzenesulfonamide CAS Name: acetic acid; N-(2-aminoethyl)-2-chloro-4-nitrobenzenesulfonamide IUPAC Name: acetic acid; N-(2-aminoethyl)-2-chloro-4-nitrobenzenesulfonamide Traditional Name: acetic acid; N-(2-aminoethyl)-2-chloro-4-nitro-benzenesulfonamide Formula: C10H14ClN3O6S MolecularWeight: 339.75266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10ClN3O4S.C2H4O2/c9-7-5-6(12(13)14)1-2-8(7)17(15,16)11-4-3-10;1-2(3)4/h1-2,5,11H,3-4,10H2;1H3,(H,3,4)