N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-ethoxy-3,5-dimethyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-ethoxy-3,5-dimethyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-ethoxy-3,5-dimethyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-4-ethoxy-3,5-dimethylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-ethoxy-3,5-dimethylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-ethoxy-3,5-dimethyl-benzenesulfonamide Formula: C22H32N2O3S2 MolecularWeight: 436.63108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3)C

Isomeric SMILES

CCOC1=C(C=C(C=C1C)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3)C

InChI

InChI=1S/C22H32N2O3S2/c1-4-27-22-17(2)13-20(14-18(22)3)29(25,26)23-15-21(19-9-12-28-16-19)24-10-7-5-6-8-11-24/h9,12-14,16,21,23H,4-8,10-11,15H2,1-3H3