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

Systemtic Name: tert-butyl 4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-3-oxidanylidene-propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-3-oxo-propyl]piperidine-1-carboxylate CAS Name: 4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-3-oxopropyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-3-oxopropyl]piperidine-1-carboxylate Traditional Name: 4-[3-keto-3-[(2-mesyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H35N3O5S MolecularWeight: 465.6061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)NC2=CC3=C(CN(CC3)S(=O)(=O)C)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)NC2=CC3=C(CN(CC3)S(=O)(=O)C)C=C2

InChI

InChI=1S/C23H35N3O5S/c1-23(2,3)31-22(28)25-12-9-17(10-13-25)5-8-21(27)24-20-7-6-19-16-26(32(4,29)30)14-11-18(19)15-20/h6-7,15,17H,5,8-14,16H2,1-4H3,(H,24,27)