1-ethyl-6-fluoranyl-4-oxidanylidene-7-[3-[1-(phenylsulfonyl)indol-3-yl]piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[3-[1-(phenylsulfonyl)indol-3-yl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-[3-[1-(benzenesulfonyl)indol-3-yl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[1-(benzenesulfonyl)-3-indolyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[1-(benzenesulfonyl)indol-3-yl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(1-besylindol-3-yl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C30H27FN4O5S MolecularWeight: 574.622583

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=CN(C5=CC=CC=C54)S(=O)(=O)C6=CC=CC=C6)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=CN(C5=CC=CC=C54)S(=O)(=O)C6=CC=CC=C6)F)C(=O)O

InChI

InChI=1S/C30H27FN4O5S/c1-2-33-16-23(30(37)38)29(36)21-14-24(31)28(15-27(21)33)34-13-12-32-25(18-34)22-17-35(26-11-7-6-10-20(22)26)41(39,40)19-8-4-3-5-9-19/h3-11,14-17,25,32H,2,12-13,18H2,1H3,(H,37,38)