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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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