N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-ethoxyphenyl)-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-ethoxyphenyl)-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(4-ethoxyphenyl)-4-methylsulfanyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(4-ethoxyphenyl)-4-(methylthio)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-(methylthio)-N-p-phenetyl-benzenesulfonamide Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C23H30N2O4S2/c1-3-29-20-10-8-19(9-11-20)25(18-23(26)24-16-6-4-5-7-17-24)31(27,28)22-14-12-21(30-2)13-15-22/h8-15H,3-7,16-18H2,1-2H3