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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-methyl-2,4-bis(oxidanylidene)-N-pyridin-3-yl-quinazoline-6-sulfonamide Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-1-methyl-2,4-dioxo-N-(3-pyridyl)quinazoline-6-sulfonamide CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-1-methyl-2,4-dioxo-N-(3-pyridinyl)-6-quinazolinesulfonamide IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-2,4-dioxo-N-pyridin-3-ylquinazoline-6-sulfonamide Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-2,4-diketo-1-methyl-N-(3-pyridyl)quinazoline-6-sulfonamide Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CN=CC=C3)C(=O)N(C1=O)CC(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CN=CC=C3)C(=O)N(C1=O)CC(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N5O5S/c1-25-19-9-8-17(33(31,32)24-16-7-6-10-23-14-16)13-18(19)21(29)27(22(25)30)15-20(28)26-11-4-2-3-5-12-26/h6-10,13-14,24H,2-5,11-12,15H2,1H3