4-cyano-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

Systemtic Name: 4-cyano-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 4-cyano-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 4-cyano-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 4-cyano-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 4-cyano-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H21N3O4S/c1-31-22-8-10-23(11-9-22)32(29,30)27-13-12-18-6-7-21(14-20(18)16-27)26-24(28)19-4-2-17(15-25)3-5-19/h2-11,14H,12-13,16H2,1H3,(H,26,28)