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

Systemtic Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-4-(4-methylpiperidin-1-yl)sulfonyl-isoquinolin-1-one Openeye Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-4-[(4-methyl-1-piperidyl)sulfonyl]isoquinolin-1-one CAS Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-[(4-methyl-1-piperidinyl)sulfonyl]-1-isoquinolinone IUPAC Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(4-methylpiperidin-1-yl)sulfonylisoquinolin-1-one Traditional Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-4-(4-methylpiperidino)sulfonyl-isocarbostyril Formula: C26H29N3O4S MolecularWeight: 479.59116

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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)N4CCCC5=CC=CC=C54

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)N4CCCC5=CC=CC=C54

InChI

InChI=1S/C26H29N3O4S/c1-19-12-15-28(16-13-19)34(32,33)24-17-27(26(31)22-10-4-3-9-21(22)24)18-25(30)29-14-6-8-20-7-2-5-11-23(20)29/h2-5,7,9-11,17,19H,6,8,12-16,18H2,1H3