[(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate

Systemtic Name: [(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Openeye Name: [(1R)-2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoic acid [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoic acid [(1R)-2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H27N4O6S+ MolecularWeight: 475.53798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H26N4O6S/c1-15(21(28)24-18-8-6-16(7-9-18)20(23)27)32-22(29)17-4-3-5-19(14-17)33(30,31)26-12-10-25(2)11-13-26/h3-9,14-15H,10-13H2,1-2H3,(H2,23,27)(H,24,28)/p+1/t15-/m1/s1