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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2,5-dimethyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2,5-dimethyl-benzenesulfonamide Formula: C20H28N2O2S2 MolecularWeight: 392.57852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C20H28N2O2S2/c1-16-7-8-17(2)20(13-16)26(23,24)21-14-19(18-9-12-25-15-18)22-10-5-3-4-6-11-22/h7-9,12-13,15,19,21H,3-6,10-11,14H2,1-2H3