N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-methyl-quinoline-8-sulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-methyl-quinoline-8-sulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-methyl-quinoline-8-sulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-methyl-8-quinolinesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-methylquinoline-8-sulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-methyl-quinoline-8-sulfonamide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2S(=O)(=O)NCC(C3=CSC=C3)N4CCCCCC4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2S(=O)(=O)NCC(C3=CSC=C3)N4CCCCCC4)C=C1

InChI

InChI=1S/C22H27N3O2S2/c1-17-9-10-18-7-6-8-21(22(18)24-17)29(26,27)23-15-20(19-11-14-28-16-19)25-12-4-2-3-5-13-25/h6-11,14,16,20,23H,2-5,12-13,15H2,1H3