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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-(azepan-1-ylsulfonyl)-4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 6-(1-azepanylsulfonyl)-4-[2-(4-cyclohexyl-1-piperazinyl)-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-(azepan-1-ylsulfonyl)-4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 6-(azepan-1-ylsulfonyl)-4-[2-(4-cyclohexylpiperazino)-2-keto-ethyl]-1,4-benzoxazin-3-one Formula: C26H38N4O5S MolecularWeight: 518.66872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)N4CCN(CC4)C5CCCCC5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)N4CCN(CC4)C5CCCCC5

InChI

InChI=1S/C26H38N4O5S/c31-25(28-16-14-27(15-17-28)21-8-4-3-5-9-21)19-30-23-18-22(10-11-24(23)35-20-26(30)32)36(33,34)29-12-6-1-2-7-13-29/h10-11,18,21H,1-9,12-17,19-20H2