1-[(2-chlorophenyl)methyl]-6-morpholin-4-ylsulfonyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 1-[(2-chlorophenyl)methyl]-6-morpholin-4-ylsulfonyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-[(2-chlorophenyl)methyl]-6-morpholinosulfonyl-4-oxo-quinoline-3-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-6-(4-morpholinylsulfonyl)-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-[(2-chlorophenyl)methyl]-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate Traditional Name: 1-(2-chlorobenzyl)-4-keto-6-morpholinosulfonyl-quinoline-3-carboxylate Formula: C21H18ClN2O6S- MolecularWeight: 461.89542

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C=C(C3=O)C(=O)[O-])CC4=CC=CC=C4Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C=C(C3=O)C(=O)[O-])CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H19ClN2O6S/c22-18-4-2-1-3-14(18)12-23-13-17(21(26)27)20(25)16-11-15(5-6-19(16)23)31(28,29)24-7-9-30-10-8-24/h1-6,11,13H,7-10,12H2,(H,26,27)/p-1