[2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 5-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-2-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 5-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-2-oxidanyl-benzoate Openeye Name: [2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl] 5-[(4-chloro-3-nitro-phenyl)sulfonylamino]-2-hydroxy-benzoate CAS Name: 5-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-hydroxybenzoic acid [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 5-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-hydroxybenzoate Traditional Name: 5-[(4-chloro-3-nitro-phenyl)sulfonylamino]-2-hydroxy-benzoic acid [2-keto-2-[(1-methyl-3-phenyl-propyl)amino]ethyl] ester Formula: C25H24ClN3O8S MolecularWeight: 561.99136

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])O

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])O

InChI

InChI=1S/C25H24ClN3O8S/c1-16(7-8-17-5-3-2-4-6-17)27-24(31)15-37-25(32)20-13-18(9-12-23(20)30)28-38(35,36)19-10-11-21(26)22(14-19)29(33)34/h2-6,9-14,16,28,30H,7-8,15H2,1H3,(H,27,31)