propan-2-yl 4-[3-[ethanoyl-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]propyl]piperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[3-[ethanoyl-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]propyl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[3-[acetyl-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]propyl]piperidine-1-carboxylate CAS Name: 4-[3-[acetyl-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]propyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-[acetyl-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]propyl]piperidine-1-carboxylate Traditional Name: 4-[3-[acetyl-(2-mesyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]propyl]piperidine-1-carboxylic acid isopropyl ester Formula: C24H37N3O5S MolecularWeight: 479.63268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H37N3O5S/c1-18(2)32-24(29)25-13-9-20(10-14-25)6-5-12-27(19(3)28)23-8-7-22-17-26(33(4,30)31)15-11-21(22)16-23/h7-8,16,18,20H,5-6,9-15,17H2,1-4H3