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

Systemtic Name: N-(2-azanyl-4-methyl-pentyl)-2-chloranyl-4-nitro-benzenesulfonamide Openeye Name: N-(2-amino-4-methyl-pentyl)-2-chloro-4-nitro-benzenesulfonamide CAS Name: N-(2-amino-4-methylpentyl)-2-chloro-4-nitrobenzenesulfonamide IUPAC Name: N-(2-amino-4-methylpentyl)-2-chloro-4-nitrobenzenesulfonamide Traditional Name: N-(2-amino-4-methyl-pentyl)-2-chloro-4-nitro-benzenesulfonamide Formula: C12H18ClN3O4S MolecularWeight: 335.80702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)N

Isomeric SMILES

CC(C)CC(CNS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)N

InChI

InChI=1S/C12H18ClN3O4S/c1-8(2)5-9(14)7-15-21(19,20)12-4-3-10(16(17)18)6-11(12)13/h3-4,6,8-9,15H,5,7,14H2,1-2H3