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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CCC1=CC(=C(C=C1)OC)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

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