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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-methyl-6-pyrrolidin-1-ylsulfonyl-quinazoline-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-1-methyl-6-pyrrolidin-1-ylsulfonyl-quinazoline-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-1-methyl-6-(1-pyrrolidinylsulfonyl)quinazoline-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-6-pyrrolidin-1-ylsulfonylquinazoline-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-1-methyl-6-pyrrolidinosulfonyl-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)N3CCCC3)C(=O)N(C1=O)CC(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)N(C1=O)CC(=O)N4CCCCCC4

InChI

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