N-(2-azanylethyl)-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-azanylethyl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-(2-aminoethyl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-(2-aminoethyl)-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(2-aminoethyl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(2-aminoethyl)-4-methyl-3-nitro-benzenesulfonamide Formula: C9H13N3O4S MolecularWeight: 259.28222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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