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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-methoxy-3,5-dimethyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-methoxy-3,5-dimethyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-methoxy-3,5-dimethyl-benzenesulfonamide Formula: C21H30N2O3S2 MolecularWeight: 422.6045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C21H30N2O3S2/c1-16-12-19(13-17(2)21(16)26-3)28(24,25)22-14-20(18-8-11-27-15-18)23-9-6-4-5-7-10-23/h8,11-13,15,20,22H,4-7,9-10,14H2,1-3H3