propan-2-yl 4-[(E)-3-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)prop-2-enyl]piperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[(E)-3-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)prop-2-enyl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[(E)-3-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)allyl]piperidine-1-carboxylate CAS Name: 4-[(E)-3-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)prop-2-enyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(E)-3-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)prop-2-enyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-3-(2-mesyl-3,4-dihydro-1H-isoquinolin-6-yl)allyl]piperidine-1-carboxylic acid isopropyl ester Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)CC=CC2=CC3=C(CN(CC3)S(=O)(=O)C)C=C2

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)C/C=C/C2=CC3=C(CN(CC3)S(=O)(=O)C)C=C2

InChI

InChI=1S/C22H32N2O4S/c1-17(2)28-22(25)23-12-9-18(10-13-23)5-4-6-19-7-8-21-16-24(29(3,26)27)14-11-20(21)15-19/h4,6-8,15,17-18H,5,9-14,16H2,1-3H3/b6-4+