2-[(6-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonylmethyl]-3-methyl-butanoic acid

Systemtic Name: 2-[(6-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonylmethyl]-3-methyl-butanoic acid Openeye Name: 2-[(6-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonylmethyl]-3-methyl-butanoic acid CAS Name: 2-[(6-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonylmethyl]-3-methylbutanoic acid IUPAC Name: 2-[(6-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonylmethyl]-3-methylbutanoic acid Traditional Name: 2-[(6-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonylmethyl]-3-methyl-butyric acid Formula: C21H31NO4S MolecularWeight: 393.54014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CS(=O)(=O)N1CCC2=C(C1)C=CC(=C2)C3CCCCC3)C(=O)O

Isomeric SMILES

CC(C)C(CS(=O)(=O)N1CCC2=C(C1)C=CC(=C2)C3CCCCC3)C(=O)O

InChI

InChI=1S/C21H31NO4S/c1-15(2)20(21(23)24)14-27(25,26)22-11-10-18-12-17(8-9-19(18)13-22)16-6-4-3-5-7-16/h8-9,12,15-16,20H,3-7,10-11,13-14H2,1-2H3,(H,23,24)