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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-(azepan-1-ylsulfonyl)-4-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 6-(1-azepanylsulfonyl)-4-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-(azepan-1-ylsulfonyl)-4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 6-(azepan-1-ylsulfonyl)-4-[2-(4-benzylpiperidino)-2-keto-ethyl]-1,4-benzoxazin-3-one Formula: C28H35N3O5S MolecularWeight: 525.6596

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)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H35N3O5S/c32-27(29-16-12-23(13-17-29)18-22-8-4-3-5-9-22)20-31-25-19-24(10-11-26(25)36-21-28(31)33)37(34,35)30-14-6-1-2-7-15-30/h3-5,8-11,19,23H,1-2,6-7,12-18,20-21H2