[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H22ClN3O5S MolecularWeight: 499.96658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H22ClN3O5S/c1-16(23(29)27-22-10-9-20(25)14-26-22)33-24(30)18-7-4-8-21(13-18)34(31,32)28-12-11-17-5-2-3-6-19(17)15-28/h2-10,13-14,16H,11-12,15H2,1H3,(H,26,27,29)