N-cycloheptyl-2-[6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanamide

Systemtic Name: N-cycloheptyl-2-[6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanamide Openeye Name: N-cycloheptyl-2-[6,7-dimethoxy-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetamide CAS Name: N-cycloheptyl-2-[6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide IUPAC Name: N-cycloheptyl-2-[6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide Traditional Name: N-cycloheptyl-2-(6,7-dimethoxy-2-tosyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide Formula: C27H36N2O5S MolecularWeight: 500.65014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2CC(=O)NC4CCCCCC4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2CC(=O)NC4CCCCCC4)OC)OC

InChI

InChI=1S/C27H36N2O5S/c1-19-10-12-22(13-11-19)35(31,32)29-15-14-20-16-25(33-2)26(34-3)17-23(20)24(29)18-27(30)28-21-8-6-4-5-7-9-21/h10-13,16-17,21,24H,4-9,14-15,18H2,1-3H3,(H,28,30)