N-(2-azanyl-4-methyl-pentyl)-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-azanyl-4-methyl-pentyl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-(2-amino-4-methyl-pentyl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-(2-amino-4-methylpentyl)-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(2-amino-4-methylpentyl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(2-amino-4-methyl-pentyl)-4-methyl-3-nitro-benzenesulfonamide Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O4S/c1-9(2)6-11(14)8-15-21(19,20)12-5-4-10(3)13(7-12)16(17)18/h4-5,7,9,11,15H,6,8,14H2,1-3H3