3-chloranyl-4-methyl-N-(3-methylbutyl)-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-N-(3-methylbutyl)-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-N-isopentyl-4-methyl-5-nitro-benzenesulfonamide CAS Name: 3-chloro-4-methyl-N-(3-methylbutyl)-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-4-methyl-N-(3-methylbutyl)-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-N-isoamyl-4-methyl-5-nitro-benzenesulfonamide Formula: C12H17ClN2O4S MolecularWeight: 320.79238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN2O4S/c1-8(2)4-5-14-20(18,19)10-6-11(13)9(3)12(7-10)15(16)17/h6-8,14H,4-5H2,1-3H3