2,5-bis(chloranyl)-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

Systemtic Name: 2,5-bis(chloranyl)-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2,5-dichloro-benzamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2,5-dichlorobenzamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2,5-dichlorobenzamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,5-dichloro-benzamide Formula: C22H18Cl2N2O3S MolecularWeight: 461.36092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=C(C=CC(=C3)Cl)Cl)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=C(C=CC(=C3)Cl)Cl)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18Cl2N2O3S/c23-17-7-9-21(24)20(13-17)22(27)25-18-8-6-15-10-11-26(14-16(15)12-18)30(28,29)19-4-2-1-3-5-19/h1-9,12-13H,10-11,14H2,(H,25,27)