N-tert-butyl-3-nitro-4-[3-(2-oxidanylideneazepan-1-yl)propylamino]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-[3-(2-oxidanylideneazepan-1-yl)propylamino]benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-[3-(2-oxoazepan-1-yl)propylamino]benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[3-(2-oxo-1-azepanyl)propylamino]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-[3-(2-oxoazepan-1-yl)propylamino]benzenesulfonamide Traditional Name: N-tert-butyl-4-[3-(2-ketoazepan-1-yl)propylamino]-3-nitro-benzenesulfonamide Formula: C19H30N4O5S MolecularWeight: 426.5303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCCN2CCCCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCCN2CCCCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O5S/c1-19(2,3)21-29(27,28)15-9-10-16(17(14-15)23(25)26)20-11-7-13-22-12-6-4-5-8-18(22)24/h9-10,14,20-21H,4-8,11-13H2,1-3H3