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

Systemtic Name: propan-2-yl 4-[(E)-2-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)ethenyl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[(E)-2-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)vinyl]piperidine-1-carboxylate CAS Name: 4-[(E)-2-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)ethenyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(E)-2-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)ethenyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-2-(2-mesyl-3,4-dihydro-1H-isoquinolin-6-yl)vinyl]piperidine-1-carboxylic acid isopropyl ester Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4S/c1-16(2)27-21(24)22-11-8-17(9-12-22)4-5-18-6-7-20-15-23(28(3,25)26)13-10-19(20)14-18/h4-7,14,16-17H,8-13,15H2,1-3H3/b5-4+