4-butyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclohexanecarboxamide CAS Name: 4-butyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclohexanecarboxamide Formula: C23H36N2O3S MolecularWeight: 420.60854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N2O3S/c1-3-5-6-18-7-9-20(10-8-18)23(26)24-22-12-11-19-13-14-25(17-21(19)16-22)29(27,28)15-4-2/h11-12,16,18,20H,3-10,13-15,17H2,1-2H3,(H,24,26)