2-[1-[2-(1-azanylisoquinolin-7-yl)-5-methyl-pyrazol-3-yl]carbonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide

Systemtic Name: 2-[1-[2-(1-azanylisoquinolin-7-yl)-5-methyl-pyrazol-3-yl]carbonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide Openeye Name: 2-[1-[2-(1-amino-7-isoquinolyl)-5-methyl-pyrazole-3-carbonyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide CAS Name: 2-[1-[[2-(1-amino-7-isoquinolinyl)-5-methyl-3-pyrazolyl]-oxomethyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide IUPAC Name: 2-[1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carbonyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide Traditional Name: 2-[1-[2-(1-amino-7-isoquinolyl)-5-methyl-pyrazole-3-carbonyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide Formula: C29H26N6O3S MolecularWeight: 538.62014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N2CCCC3=C2C=CC(=C3)C4=CC=CC=C4S(=O)(=O)N)C5=CC6=C(C=C5)C=CN=C6N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N2CCCC3=C2C=CC(=C3)C4=CC=CC=C4S(=O)(=O)N)C5=CC6=C(C=C5)C=CN=C6N

InChI

InChI=1S/C29H26N6O3S/c1-18-15-26(35(33-18)22-10-8-19-12-13-32-28(30)24(19)17-22)29(36)34-14-4-5-21-16-20(9-11-25(21)34)23-6-2-3-7-27(23)39(31,37)38/h2-3,6-13,15-17H,4-5,14H2,1H3,(H2,30,32)(H2,31,37,38)