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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]quinoline-8-sulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]quinoline-8-sulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-8-quinolinesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]quinoline-8-sulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]quinoline-8-sulfonamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C4=CSC=C4

Isomeric SMILES

C1CCCN(CC1)C(CNS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C4=CSC=C4

InChI

InChI=1S/C21H25N3O2S2/c25-28(26,20-9-5-7-17-8-6-11-22-21(17)20)23-15-19(18-10-14-27-16-18)24-12-3-1-2-4-13-24/h5-11,14,16,19,23H,1-4,12-13,15H2