N-[(2-chloranyl-6-methyl-phenyl)methyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[(2-chloranyl-6-methyl-phenyl)methyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(2-chloro-6-methyl-phenyl)methyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(2-chloro-6-methylphenyl)methyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(2-chloro-6-methylphenyl)methyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(2-chloro-6-methyl-benzyl)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H27ClN2O5S MolecularWeight: 515.02098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)CNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)CNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H27ClN2O5S/c1-17-7-6-10-22(27)21(17)15-28-26(30)23-13-18-8-4-5-9-19(18)16-29(23)35(31,32)20-11-12-24(33-2)25(14-20)34-3/h4-12,14,23H,13,15-16H2,1-3H3,(H,28,30)