4-butyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanecarboxamide CAS Name: 4-butyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclohexanecarboxamide Formula: C27H36N2O3S MolecularWeight: 468.65134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)C)C=C2

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)C)C=C2

InChI

InChI=1S/C27H36N2O3S/c1-3-4-5-21-8-10-23(11-9-21)27(30)28-25-13-12-22-16-17-29(19-24(22)18-25)33(31,32)26-14-6-20(2)7-15-26/h6-7,12-15,18,21,23H,3-5,8-11,16-17,19H2,1-2H3,(H,28,30)