2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-4-(4-methylpiperidin-1-yl)sulfonyl-isoquinolin-1-one

Systemtic Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-4-(4-methylpiperidin-1-yl)sulfonyl-isoquinolin-1-one Openeye Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-4-[(4-methyl-1-piperidyl)sulfonyl]isoquinolin-1-one CAS Name: 2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-4-[(4-methyl-1-piperidinyl)sulfonyl]-1-isoquinolinone IUPAC Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methylpiperidin-1-yl)sulfonylisoquinolin-1-one Traditional Name: 2-[2-keto-2-(4-methylpiperazino)ethyl]-4-(4-methylpiperidino)sulfonyl-isocarbostyril Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)N4CCN(CC4)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)N4CCN(CC4)C

InChI

InChI=1S/C22H30N4O4S/c1-17-7-9-26(10-8-17)31(29,30)20-15-25(22(28)19-6-4-3-5-18(19)20)16-21(27)24-13-11-23(2)12-14-24/h3-6,15,17H,7-14,16H2,1-2H3