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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O5S/c1-17(2)31-23(28)25-12-9-18(10-13-25)5-4-6-22(27)24-21-8-7-20-16-26(32(3,29)30)14-11-19(20)15-21/h7-8,15,17-18H,4-6,9-14,16H2,1-3H3,(H,24,27)