butyl 4-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]benzoate CAS Name: 4-[[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]benzoate Traditional Name: 4-[(2-esyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]benzoic acid butyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC

InChI

InChI=1S/C23H28N2O5S/c1-3-5-14-30-23(27)17-10-12-20(13-11-17)24-22(26)21-15-18-8-6-7-9-19(18)16-25(21)31(28,29)4-2/h6-13,21H,3-5,14-16H2,1-2H3,(H,24,26)