methyl 2-[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[4-(7-chloro-4-quinolyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 2-[[4-(7-chloro-4-quinolinyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(7-chloro-4-quinolyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C21H20ClN3O4S/c1-29-21(26)17-4-2-3-5-20(17)30(27,28)25-12-10-24(11-13-25)19-8-9-23-18-14-15(22)6-7-16(18)19/h2-9,14H,10-13H2,1H3