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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C22H32N2O3S2/c1-18(2)16-27-20-7-9-21(10-8-20)29(25,26)23-15-22(19-11-14-28-17-19)24-12-5-3-4-6-13-24/h7-11,14,17-18,22-23H,3-6,12-13,15-16H2,1-2H3