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

Systemtic Name: propan-2-yl 4-[(E)-4-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)but-3-enyl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[(E)-4-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)but-3-enyl]piperidine-1-carboxylate CAS Name: 4-[(E)-4-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)but-3-enyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(E)-4-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)but-3-enyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-4-(2-mesyl-3,4-dihydro-1H-isoquinolin-6-yl)but-3-enyl]piperidine-1-carboxylic acid isopropyl ester Formula: C23H34N2O4S MolecularWeight: 434.59206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O4S/c1-18(2)29-23(26)24-13-10-19(11-14-24)6-4-5-7-20-8-9-22-17-25(30(3,27)28)15-12-21(22)16-20/h5,7-9,16,18-19H,4,6,10-15,17H2,1-3H3/b7-5+