[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate Traditional Name: 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C22H20ClN3O5S2 MolecularWeight: 505.9943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)NC3=NC=C(C=C3)Cl)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)NC3=NC=C(C=C3)Cl)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H20ClN3O5S2/c23-16-7-8-19(24-13-16)25-20(27)14-31-21(28)12-18-17-5-2-1-4-15(17)9-10-26(18)33(29,30)22-6-3-11-32-22/h1-8,11,13,18H,9-10,12,14H2,(H,24,25,27)