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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2,4,5-trimethyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2,4,5-trimethyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2,4,5-trimethylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4,5-trimethylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2,4,5-trimethyl-benzenesulfonamide Formula: C21H30N2O2S2 MolecularWeight: 406.6051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O2S2/c1-16-12-18(3)21(13-17(16)2)27(24,25)22-14-20(19-8-11-26-15-19)23-9-6-4-5-7-10-23/h8,11-13,15,20,22H,4-7,9-10,14H2,1-3H3