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

Systemtic Name: propan-2-yl 4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)-propan-2-yl-amino]propyl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[3-[isopropyl-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]propyl]piperidine-1-carboxylate CAS Name: 4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)-propan-2-ylamino]propyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)-propan-2-ylamino]propyl]piperidine-1-carboxylate Traditional Name: 4-[3-[isopropyl-(2-mesyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]propyl]piperidine-1-carboxylic acid isopropyl ester Formula: C25H41N3O4S MolecularWeight: 479.67574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCC1CCN(CC1)C(=O)OC(C)C)C2=CC3=C(CN(CC3)S(=O)(=O)C)C=C2

Isomeric SMILES

CC(C)N(CCCC1CCN(CC1)C(=O)OC(C)C)C2=CC3=C(CN(CC3)S(=O)(=O)C)C=C2

InChI

InChI=1S/C25H41N3O4S/c1-19(2)28(13-6-7-21-10-14-26(15-11-21)25(29)32-20(3)4)24-9-8-23-18-27(33(5,30)31)16-12-22(23)17-24/h8-9,17,19-21H,6-7,10-16,18H2,1-5H3