4-[2-[ethyl-[4-(2-oxidanylideneazepan-1-yl)butyl]amino]propyl]benzenesulfonamide

Systemtic Name: 4-[2-[ethyl-[4-(2-oxidanylideneazepan-1-yl)butyl]amino]propyl]benzenesulfonamide Openeye Name: 4-[2-[ethyl-[4-(2-oxoazepan-1-yl)butyl]amino]propyl]benzenesulfonamide CAS Name: 4-[2-[ethyl-[4-(2-oxo-1-azepanyl)butyl]amino]propyl]benzenesulfonamide IUPAC Name: 4-[2-[ethyl-[4-(2-oxoazepan-1-yl)butyl]amino]propyl]benzenesulfonamide Traditional Name: 4-[2-[ethyl-[4-(2-ketoazepan-1-yl)butyl]amino]propyl]benzenesulfonamide Formula: C21H35N3O3S MolecularWeight: 409.5859

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCN1CCCCCC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CCN(CCCCN1CCCCCC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C21H35N3O3S/c1-3-23(14-7-8-16-24-15-6-4-5-9-21(24)25)18(2)17-19-10-12-20(13-11-19)28(22,26)27/h10-13,18H,3-9,14-17H2,1-2H3,(H2,22,26,27)