4-[(1S)-1-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]amino]ethyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[(1S)-1-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]amino]ethyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[(1S)-1-[[2-(azepan-1-yl)-2-oxo-ethyl]amino]ethyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[(1S)-1-[[2-(1-azepanyl)-2-oxoethyl]amino]ethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[(1S)-1-[[2-(azepan-1-yl)-2-oxoethyl]amino]ethyl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[(1S)-1-[[2-(azepan-1-yl)-2-keto-ethyl]amino]ethyl]-N,N-diethyl-benzenesulfonamide Formula: C20H33N3O3S MolecularWeight: 395.55932

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(C)NCC(=O)N2CCCCCC2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)[C@H](C)NCC(=O)N2CCCCCC2

InChI

InChI=1S/C20H33N3O3S/c1-4-23(5-2)27(25,26)19-12-10-18(11-13-19)17(3)21-16-20(24)22-14-8-6-7-9-15-22/h10-13,17,21H,4-9,14-16H2,1-3H3/t17-/m0/s1