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

Systemtic Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-quinolin-2-one Openeye Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-6-[(4-methyl-1-piperidyl)sulfonyl]quinolin-2-one CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-[(4-methyl-1-piperidinyl)sulfonyl]-2-quinolinone IUPAC Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-one Traditional Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-6-(4-methylpiperidino)sulfonyl-carbostyril Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C=C3)CC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C=C3)CC(=O)N4CCC5=CC=CC=C5C4

InChI

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