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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N,N-diethyl-1-methyl-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-N,N-diethyl-1-methyl-2,4-dioxo-quinazoline-6-sulfonamide CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-N,N-diethyl-1-methyl-2,4-dioxo-6-quinazolinesulfonamide IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-N,N-diethyl-1-methyl-2,4-dioxoquinazoline-6-sulfonamide Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-N,N-diethyl-2,4-diketo-1-methyl-quinazoline-6-sulfonamide Formula: C21H30N4O5S MolecularWeight: 450.5517

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=O)N(C2=O)CC(=O)N3CCCCCC3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=O)N(C2=O)CC(=O)N3CCCCCC3)C

InChI

InChI=1S/C21H30N4O5S/c1-4-24(5-2)31(29,30)16-10-11-18-17(14-16)20(27)25(21(28)22(18)3)15-19(26)23-12-8-6-7-9-13-23/h10-11,14H,4-9,12-13,15H2,1-3H3