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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-methyl-2,4-bis(oxidanylidene)-N-(pyridin-3-ylmethyl)quinazoline-6-sulfonamide Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-1-methyl-2,4-dioxo-N-(3-pyridylmethyl)quinazoline-6-sulfonamide CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-1-methyl-2,4-dioxo-N-(3-pyridinylmethyl)-6-quinazolinesulfonamide IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-2,4-dioxo-N-(pyridin-3-ylmethyl)quinazoline-6-sulfonamide Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-2,4-diketo-1-methyl-N-(3-pyridylmethyl)quinazoline-6-sulfonamide Formula: C23H27N5O5S MolecularWeight: 485.55598

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NCC3=CN=CC=C3)C(=O)N(C1=O)CC(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NCC3=CN=CC=C3)C(=O)N(C1=O)CC(=O)N4CCCCCC4

InChI

InChI=1S/C23H27N5O5S/c1-26-20-9-8-18(34(32,33)25-15-17-7-6-10-24-14-17)13-19(20)22(30)28(23(26)31)16-21(29)27-11-4-2-3-5-12-27/h6-10,13-14,25H,2-5,11-12,15-16H2,1H3