N-ethyl-N-(4-fluorophenyl)-4-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-quinoline-6-sulfonamide

Systemtic Name: N-ethyl-N-(4-fluorophenyl)-4-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-quinoline-6-sulfonamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-ethyl-N-(4-fluorophenyl)-4-oxo-1H-quinoline-6-sulfonamide CAS Name: N-ethyl-N-(4-fluorophenyl)-4-oxo-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1H-quinoline-6-sulfonamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-ethyl-N-(4-fluorophenyl)-4-oxo-1H-quinoline-6-sulfonamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-ethyl-N-(4-fluorophenyl)-4-keto-1H-quinoline-6-sulfonamide Formula: C29H30FN4O4S+ MolecularWeight: 549.636303

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H29FN4O4S/c1-2-34(23-10-8-22(30)9-11-23)39(37,38)24-12-13-27-25(18-24)28(35)26(19-31-27)29(36)33-16-14-32(15-17-33)20-21-6-4-3-5-7-21/h3-13,18-19H,2,14-17,20H2,1H3,(H,31,35)/p+1