N-(2-azanylethyl)-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(2-azanylethyl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(2-aminoethyl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-(2-aminoethyl)-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(2-aminoethyl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(2-aminoethyl)-2-methyl-5-nitro-benzenesulfonamide Formula: C9H13N3O4S MolecularWeight: 259.28222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCN

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCN

InChI

InChI=1S/C9H13N3O4S/c1-7-2-3-8(12(13)14)6-9(7)17(15,16)11-5-4-10/h2-3,6,11H,4-5,10H2,1H3