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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-methyl-2,4-bis(oxidanylidene)-N-propyl-quinazoline-6-sulfonamide Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-1-methyl-2,4-dioxo-N-propyl-quinazoline-6-sulfonamide CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-1-methyl-2,4-dioxo-N-propyl-6-quinazolinesulfonamide IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-2,4-dioxo-N-propylquinazoline-6-sulfonamide Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-2,4-diketo-1-methyl-N-propyl-quinazoline-6-sulfonamide Formula: C20H28N4O5S MolecularWeight: 436.52512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O5S/c1-3-10-21-30(28,29)15-8-9-17-16(13-15)19(26)24(20(27)22(17)2)14-18(25)23-11-6-4-5-7-12-23/h8-9,13,21H,3-7,10-12,14H2,1-2H3