2-chloranyl-N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]piperidin-4-yl]-4-methylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]piperidin-4-yl]-4-methylsulfonyl-benzamide Openeye Name: 2-chloro-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-piperidyl]-4-methylsulfonyl-benzamide CAS Name: 2-chloro-N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-4-piperidinyl]-4-methylsulfonylbenzamide IUPAC Name: 2-chloro-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-4-yl]-4-methylsulfonylbenzamide Traditional Name: 2-chloro-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-piperidyl]-4-mesyl-benzamide Formula: C25H30ClN3O6S MolecularWeight: 536.0402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3(CCNCC3)NC(=O)C4=C(C=C(C=C4)S(=O)(=O)C)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3(CCNCC3)NC(=O)C4=C(C=C(C=C4)S(=O)(=O)C)Cl)OC

InChI

InChI=1S/C25H30ClN3O6S/c1-34-21-12-16-6-11-29(15-17(16)13-22(21)35-2)24(31)25(7-9-27-10-8-25)28-23(30)19-5-4-18(14-20(19)26)36(3,32)33/h4-5,12-14,27H,6-11,15H2,1-3H3,(H,28,30)