N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-ethoxy-3-methyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-ethoxy-3-methyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-ethoxy-3-methyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-ethoxy-3-methylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-ethoxy-3-methyl-benzenesulfonamide Formula: C21H30N2O3S2 MolecularWeight: 422.6045

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3)C

InChI

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