N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-5-methoxy-8-(4-methylpiperazin-1-yl)-4-oxidanylidene-1H-quinoline-2-carboxamide

Systemtic Name: N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-5-methoxy-8-(4-methylpiperazin-1-yl)-4-oxidanylidene-1H-quinoline-2-carboxamide Openeye Name: N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-5-methoxy-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxamide CAS Name: N-[4-(4-ethylsulfonyl-1-piperazinyl)phenyl]-5-methoxy-8-(4-methyl-1-piperazinyl)-4-oxo-1H-quinoline-2-carboxamide IUPAC Name: N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-5-methoxy-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxamide Traditional Name: N-[4-(4-esylpiperazino)phenyl]-4-keto-5-methoxy-8-(4-methylpiperazino)-1H-quinoline-2-carboxamide Formula: C28H36N6O5S MolecularWeight: 568.68764

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=O)C4=C(C=CC(=C4N3)N5CCN(CC5)C)OC

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=O)C4=C(C=CC(=C4N3)N5CCN(CC5)C)OC

InChI

InChI=1S/C28H36N6O5S/c1-4-40(37,38)34-17-15-32(16-18-34)21-7-5-20(6-8-21)29-28(36)22-19-24(35)26-25(39-3)10-9-23(27(26)30-22)33-13-11-31(2)12-14-33/h5-10,19H,4,11-18H2,1-3H3,(H,29,36)(H,30,35)