ethyl 4-azanyl-6-[[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylamino]quinoline-3-carboxylate

Systemtic Name: ethyl 4-azanyl-6-[[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylamino]quinoline-3-carboxylate Openeye Name: ethyl 6-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]amino]-4-amino-quinoline-3-carboxylate CAS Name: 6-[[[3-[(4-acetyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]-4-amino-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]amino]-4-aminoquinoline-3-carboxylate Traditional Name: 6-[[3-(4-acetylpiperazino)sulfonylbenzoyl]amino]-4-amino-quinoline-3-carboxylic acid ethyl ester Formula: C25H27N5O6S MolecularWeight: 525.57678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1N)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C(=O)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1N)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C25H27N5O6S/c1-3-36-25(33)21-15-27-22-8-7-18(14-20(22)23(21)26)28-24(32)17-5-4-6-19(13-17)37(34,35)30-11-9-29(10-12-30)16(2)31/h4-8,13-15H,3,9-12H2,1-2H3,(H2,26,27)(H,28,32)