[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-chloranyl-5-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-chloranyl-5-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 2-[(3-chloro-5-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-chloro-5-nitrophenyl)-oxomethyl]amino]acetic acid [2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-[(3-chloro-5-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-chloro-5-nitro-benzoyl)amino]acetic acid [2-keto-2-(2-methyl-5-piperidinosulfonyl-anilino)ethyl] ester Formula: C23H25ClN4O8S MolecularWeight: 552.9846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)CNC(=O)C3=CC(=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)CNC(=O)C3=CC(=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H25ClN4O8S/c1-15-5-6-19(37(34,35)27-7-3-2-4-8-27)12-20(15)26-21(29)14-36-22(30)13-25-23(31)16-9-17(24)11-18(10-16)28(32)33/h5-6,9-12H,2-4,7-8,13-14H2,1H3,(H,25,31)(H,26,29)