N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-quinoline-8-sulfonamide

Systemtic Name: N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-quinoline-8-sulfonamide Openeye Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-quinoline-8-sulfonamide CAS Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-8-quinolinesulfonamide IUPAC Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methylquinoline-8-sulfonamide Traditional Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-quinoline-8-sulfonamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2S(=O)(=O)NC3=CC4=C(CCN(C4)C(=O)C)C=C3)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2S(=O)(=O)NC3=CC4=C(CCN(C4)C(=O)C)C=C3)C=C1

InChI

InChI=1S/C21H21N3O3S/c1-14-6-7-17-4-3-5-20(21(17)22-14)28(26,27)23-19-9-8-16-10-11-24(15(2)25)13-18(16)12-19/h3-9,12,23H,10-11,13H2,1-2H3