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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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