4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,4-benzoxazin-3-one Openeye Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-6-[(4-methyl-1-piperidyl)sulfonyl]-1,4-benzoxazin-3-one CAS Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-[(4-methyl-1-piperidinyl)sulfonyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,4-benzoxazin-3-one Traditional Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-6-(4-methylpiperidino)sulfonyl-1,4-benzoxazin-3-one Formula: C25H29N3O5S MolecularWeight: 483.57986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H29N3O5S/c1-18-8-12-27(13-9-18)34(31,32)21-6-7-23-22(14-21)28(25(30)17-33-23)16-24(29)26-11-10-19-4-2-3-5-20(19)15-26/h2-7,14,18H,8-13,15-17H2,1H3