3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-methyl-2,4-bis(oxidanylidene)-N-(thiophen-2-ylmethyl)quinazoline-6-sulfonamide

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-methyl-2,4-bis(oxidanylidene)-N-(thiophen-2-ylmethyl)quinazoline-6-sulfonamide Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-1-methyl-2,4-dioxo-N-(2-thienylmethyl)quinazoline-6-sulfonamide CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-1-methyl-2,4-dioxo-N-(thiophen-2-ylmethyl)-6-quinazolinesulfonamide IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-2,4-dioxo-N-(thiophen-2-ylmethyl)quinazoline-6-sulfonamide Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-2,4-diketo-1-methyl-N-(2-thenyl)quinazoline-6-sulfonamide Formula: C22H26N4O5S2 MolecularWeight: 490.59564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CS3)C(=O)N(C1=O)CC(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CS3)C(=O)N(C1=O)CC(=O)N4CCCCCC4

InChI

InChI=1S/C22H26N4O5S2/c1-24-19-9-8-17(33(30,31)23-14-16-7-6-12-32-16)13-18(19)21(28)26(22(24)29)15-20(27)25-10-4-2-3-5-11-25/h6-9,12-13,23H,2-5,10-11,14-15H2,1H3