N-[2-[3-chloranyl-4-(2-nitroethanoyl)phenyl]ethyl]-2-methyl-benzenesulfonamide

Systemtic Name: N-[2-[3-chloranyl-4-(2-nitroethanoyl)phenyl]ethyl]-2-methyl-benzenesulfonamide Openeye Name: N-[2-[3-chloro-4-(2-nitroacetyl)phenyl]ethyl]-2-methyl-benzenesulfonamide CAS Name: N-[2-[3-chloro-4-(2-nitro-1-oxoethyl)phenyl]ethyl]-2-methylbenzenesulfonamide IUPAC Name: N-[2-[3-chloro-4-(2-nitroacetyl)phenyl]ethyl]-2-methylbenzenesulfonamide Traditional Name: N-[2-[3-chloro-4-(2-nitroacetyl)phenyl]ethyl]-2-methyl-benzenesulfonamide Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NCCC2=CC(=C(C=C2)C(=O)C[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NCCC2=CC(=C(C=C2)C(=O)C[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN2O5S/c1-12-4-2-3-5-17(12)26(24,25)19-9-8-13-6-7-14(15(18)10-13)16(21)11-20(22)23/h2-7,10,19H,8-9,11H2,1H3