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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-methyl-2,4-bis(oxidanylidene)-N-phenethyl-quinazoline-6-sulfonamide Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-1-methyl-2,4-dioxo-N-phenethyl-quinazoline-6-sulfonamide CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-1-methyl-2,4-dioxo-N-phenethyl-6-quinazolinesulfonamide IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-2,4-dioxo-N-phenethylquinazoline-6-sulfonamide Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-2,4-diketo-1-methyl-N-phenethyl-quinazoline-6-sulfonamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3)C(=O)N(C1=O)CC(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3)C(=O)N(C1=O)CC(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N4O5S/c1-27-22-12-11-20(35(33,34)26-14-13-19-9-5-4-6-10-19)17-21(22)24(31)29(25(27)32)18-23(30)28-15-7-2-3-8-16-28/h4-6,9-12,17,26H,2-3,7-8,13-16,18H2,1H3