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

Systemtic Name: propan-2-yl 4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]propyl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[3-[(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)amino]propyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]propyl]piperidine-1-carboxylate Traditional Name: 4-[3-[(2-mesyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]propyl]piperidine-1-carboxylic acid isopropyl ester Formula: C22H35N3O4S MolecularWeight: 437.596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)CCCNC2=CC3=C(CN(CC3)S(=O)(=O)C)C=C2

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)CCCNC2=CC3=C(CN(CC3)S(=O)(=O)C)C=C2

InChI

InChI=1S/C22H35N3O4S/c1-17(2)29-22(26)24-12-8-18(9-13-24)5-4-11-23-21-7-6-20-16-25(30(3,27)28)14-10-19(20)15-21/h6-7,15,17-18,23H,4-5,8-14,16H2,1-3H3