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

Systemtic Name: 2-methyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide Openeye Name: 2-methyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide CAS Name: 2-methyl-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-8-quinolinesulfonamide IUPAC Name: 2-methyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide Traditional Name: N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-quinoline-8-sulfonamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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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)C)C=C3)C=C1

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-15(2)23(27)26-12-11-17-9-10-20(13-19(17)14-26)25-30(28,29)21-6-4-5-18-8-7-16(3)24-22(18)21/h4-10,13,15,25H,11-12,14H2,1-3H3