ethyl 4-oxidanylidene-4-[(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]butanoate Openeye Name: ethyl 4-oxo-4-[(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]butanoate CAS Name: 4-oxo-4-[(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]butanoate Traditional Name: 4-keto-4-[(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]butyric acid ethyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CCC(=O)OCC

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CCC(=O)OCC

InChI

InChI=1S/C18H26N2O5S/c1-3-11-26(23,24)20-10-9-14-5-6-16(12-15(14)13-20)19-17(21)7-8-18(22)25-4-2/h5-6,12H,3-4,7-11,13H2,1-2H3,(H,19,21)