4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-6-(1-pyrrolidinylsulfonyl)-1,4-benzoxazin-3-one IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-6-pyrrolidinosulfonyl-1,4-benzoxazin-3-one Formula: C20H27N3O5S MolecularWeight: 421.51048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H27N3O5S/c24-19(21-9-3-1-2-4-10-21)14-23-17-13-16(7-8-18(17)28-15-20(23)25)29(26,27)22-11-5-6-12-22/h7-8,13H,1-6,9-12,14-15H2