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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC2=C(C=C1)N(C(=O)N(C2=O)CC(=O)N3CCCCCC3)C

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC2=C(C=C1)N(C(=O)N(C2=O)CC(=O)N3CCCCCC3)C

InChI

InChI=1S/C21H30N4O5S/c1-21(2,3)22-31(29,30)15-9-10-17-16(13-15)19(27)25(20(28)23(17)4)14-18(26)24-11-7-5-6-8-12-24/h9-10,13,22H,5-8,11-12,14H2,1-4H3