5-[4-methylsulfonyl-2-oxidanylidene-1-(piperazin-1-ylmethyl)quinolin-3-yl]indole-1-carboxylic acid

Systemtic Name: 5-[4-methylsulfonyl-2-oxidanylidene-1-(piperazin-1-ylmethyl)quinolin-3-yl]indole-1-carboxylic acid Openeye Name: 5-[4-methylsulfonyl-2-oxo-1-(piperazin-1-ylmethyl)-3-quinolyl]indole-1-carboxylic acid CAS Name: 5-[4-methylsulfonyl-2-oxo-1-(1-piperazinylmethyl)-3-quinolinyl]-1-indolecarboxylic acid IUPAC Name: 5-[4-methylsulfonyl-2-oxo-1-(piperazin-1-ylmethyl)quinolin-3-yl]indole-1-carboxylic acid Traditional Name: 5-[2-keto-4-mesyl-1-(piperazinomethyl)-3-quinolyl]indole-1-carboxylic acid Formula: C24H24N4O5S MolecularWeight: 480.53616

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=O)N(C2=CC=CC=C21)CN3CCNCC3)C4=CC5=C(C=C4)N(C=C5)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=C(C(=O)N(C2=CC=CC=C21)CN3CCNCC3)C4=CC5=C(C=C4)N(C=C5)C(=O)O

InChI

InChI=1S/C24H24N4O5S/c1-34(32,33)22-18-4-2-3-5-20(18)28(15-26-12-9-25-10-13-26)23(29)21(22)17-6-7-19-16(14-17)8-11-27(19)24(30)31/h2-8,11,14,25H,9-10,12-13,15H2,1H3,(H,30,31)