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

Systemtic Name: 3-nitro-4-[3-(2-oxidanylideneazepan-1-yl)propylamino]-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-[3-(2-oxoazepan-1-yl)propylamino]benzenesulfonamide CAS Name: 3-nitro-4-[3-(2-oxo-1-azepanyl)propylamino]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 3-nitro-4-[3-(2-oxoazepan-1-yl)propylamino]-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[3-(2-ketoazepan-1-yl)propylamino]-3-nitro-benzenesulfonamide Formula: C18H28N4O5S MolecularWeight: 412.50372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O5S/c1-14(2)20-28(26,27)15-8-9-16(17(13-15)22(24)25)19-10-6-12-21-11-5-3-4-7-18(21)23/h8-9,13-14,19-20H,3-7,10-12H2,1-2H3