N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-methyl-4-propoxy-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-methyl-4-propoxy-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-methyl-4-propoxy-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-3-methyl-4-propoxybenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-methyl-4-propoxybenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-methyl-4-propoxy-benzenesulfonamide Formula: C22H32N2O3S2 MolecularWeight: 436.63108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3)C

InChI

InChI=1S/C22H32N2O3S2/c1-3-13-27-22-9-8-20(15-18(22)2)29(25,26)23-16-21(19-10-14-28-17-19)24-11-6-4-5-7-12-24/h8-10,14-15,17,21,23H,3-7,11-13,16H2,1-2H3