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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-tert-butyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-tert-butyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-4-tert-butylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-tert-butylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-tert-butyl-benzenesulfonamide Formula: C22H32N2O2S2 MolecularWeight: 420.63168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O2S2/c1-22(2,3)19-8-10-20(11-9-19)28(25,26)23-16-21(18-12-15-27-17-18)24-13-6-4-5-7-14-24/h8-12,15,17,21,23H,4-7,13-14,16H2,1-3H3