4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]piperidine-1-carboxylic acid

Systemtic Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]piperidine-1-carboxylic acid Openeye Name: 4-[2-tert-butoxy-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylmethyl)-2-oxo-ethyl]piperidine-1-carboxylic acid CAS Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-1-piperidinecarboxylic acid IUPAC Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]piperidine-1-carboxylic acid Traditional Name: 4-[2-tert-butoxy-1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylmethyl)-2-keto-ethyl]piperidine-1-carboxylic acid Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CS(=O)(=O)N1CCC2=CC=CC=C2C1)C3CCN(CC3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C(CS(=O)(=O)N1CCC2=CC=CC=C2C1)C3CCN(CC3)C(=O)O

InChI

InChI=1S/C22H32N2O6S/c1-22(2,3)30-20(25)19(17-8-11-23(12-9-17)21(26)27)15-31(28,29)24-13-10-16-6-4-5-7-18(16)14-24/h4-7,17,19H,8-15H2,1-3H3,(H,26,27)