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

Systemtic Name: propyl 4-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-3-13-29-22(26)16-9-11-19(12-10-16)23-21(25)20-14-17-7-5-6-8-18(17)15-24(20)30(27,28)4-2/h5-12,20H,3-4,13-15H2,1-2H3,(H,23,25)