6-(azepan-1-ylsulfonyl)-1-methyl-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)quinazoline-2,4-dione

Systemtic Name: 6-(azepan-1-ylsulfonyl)-1-methyl-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)quinazoline-2,4-dione Openeye Name: 6-(azepan-1-ylsulfonyl)-1-methyl-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)quinazoline-2,4-dione CAS Name: 6-(1-azepanylsulfonyl)-1-methyl-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]quinazoline-2,4-dione IUPAC Name: 6-(azepan-1-ylsulfonyl)-1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione Traditional Name: 6-(azepan-1-ylsulfonyl)-3-(2-keto-2-pyrrolidino-ethyl)-1-methyl-quinazoline-2,4-quinone Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)N(C1=O)CC(=O)N4CCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)N(C1=O)CC(=O)N4CCCC4

InChI

InChI=1S/C21H28N4O5S/c1-22-18-9-8-16(31(29,30)24-12-4-2-3-5-13-24)14-17(18)20(27)25(21(22)28)15-19(26)23-10-6-7-11-23/h8-9,14H,2-7,10-13,15H2,1H3