N-(2,4-dichlorophenyl)-3-methylsulfonyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-(2,4-dichlorophenyl)-3-methylsulfonyl-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-(2,4-dichlorophenyl)-3-methylsulfonyl-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-(2,4-dichlorophenyl)-3-methylsulfonyl-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-(2,4-dichlorophenyl)-3-methylsulfonyl-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-(2,4-dichlorophenyl)-3-mesyl-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C17H16Cl2N2O3S MolecularWeight: 399.29154

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1CC2=CC=CC=C2CN1C(=O)NC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CS(=O)(=O)C1CC2=CC=CC=C2CN1C(=O)NC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H16Cl2N2O3S/c1-25(23,24)16-8-11-4-2-3-5-12(11)10-21(16)17(22)20-15-7-6-13(18)9-14(15)19/h2-7,9,16H,8,10H2,1H3,(H,20,22)