methyl 7-chloranyl-4-oxidanylidene-1-phenyl-3-[(4-piperazin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxylate

Systemtic Name: methyl 7-chloranyl-4-oxidanylidene-1-phenyl-3-[(4-piperazin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxylate Openeye Name: methyl 7-chloro-4-oxo-1-phenyl-3-[(4-piperazin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxylate CAS Name: 7-chloro-4-oxo-1-phenyl-3-[[4-(1-piperazinylsulfonyl)phenyl]methyl]-2-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 7-chloro-4-oxo-1-phenyl-3-[(4-piperazin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxylate Traditional Name: 7-chloro-4-keto-1-phenyl-3-(4-piperazinosulfonylbenzyl)quinaldic acid methyl ester Formula: C28H26ClN3O5S MolecularWeight: 552.04114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=O)C2=C(N1C3=CC=CC=C3)C=C(C=C2)Cl)CC4=CC=C(C=C4)S(=O)(=O)N5CCNCC5

Isomeric SMILES

COC(=O)C1=C(C(=O)C2=C(N1C3=CC=CC=C3)C=C(C=C2)Cl)CC4=CC=C(C=C4)S(=O)(=O)N5CCNCC5

InChI

InChI=1S/C28H26ClN3O5S/c1-37-28(34)26-24(17-19-7-10-22(11-8-19)38(35,36)31-15-13-30-14-16-31)27(33)23-12-9-20(29)18-25(23)32(26)21-5-3-2-4-6-21/h2-12,18,30H,13-17H2,1H3