N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2,3,5,6-tetramethyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2,3,5,6-tetramethyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2,3,5,6-tetramethyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,3,5,6-tetramethylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2,3,5,6-tetramethyl-benzenesulfonamide Formula: C22H32N2O2S2 MolecularWeight: 420.63168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3)C)C

InChI

InChI=1S/C22H32N2O2S2/c1-16-13-17(2)19(4)22(18(16)3)28(25,26)23-14-21(20-9-12-27-15-20)24-10-7-5-6-8-11-24/h9,12-13,15,21,23H,5-8,10-11,14H2,1-4H3