4-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]cyclohexanecarboxamide CAS Name: 4-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]cyclohexanecarboxamide Formula: C22H34N2O3S MolecularWeight: 406.58196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NCCS(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NCCS(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H34N2O3S/c1-2-3-6-18-9-11-20(12-10-18)22(25)23-14-16-28(26,27)24-15-13-19-7-4-5-8-21(19)17-24/h4-5,7-8,18,20H,2-3,6,9-17H2,1H3,(H,23,25)