N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-chloranyl-N-phenethyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-chloranyl-N-phenethyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-4-chloro-N-phenethyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-4-chloro-N-phenethylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-4-chloro-N-phenethylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-chloro-N-phenethyl-benzenesulfonamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O3S/c23-20-10-12-21(13-11-20)29(27,28)25(17-14-19-8-4-3-5-9-19)18-22(26)24-15-6-1-2-7-16-24/h3-5,8-13H,1-2,6-7,14-18H2