2-methyl-3-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzenesulfonamide

Systemtic Name: 2-methyl-3-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzenesulfonamide Openeye Name: 2-methyl-3-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzenesulfonamide CAS Name: 2-methyl-3-nitro-N-[3-(2-oxo-1-azepanyl)propyl]benzenesulfonamide IUPAC Name: 2-methyl-3-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzenesulfonamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-2-methyl-3-nitro-benzenesulfonamide Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)NCCCN2CCCCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)NCCCN2CCCCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O5S/c1-13-14(19(21)22)7-5-8-15(13)25(23,24)17-10-6-12-18-11-4-2-3-9-16(18)20/h5,7-8,17H,2-4,6,9-12H2,1H3