[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 4-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]benzoate

Systemtic Name: [(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 4-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]benzoate Openeye Name: [(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 4-[(4-chloro-3-nitro-phenyl)sulfonylamino]benzoate CAS Name: 4-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 4-[(4-chloro-3-nitro-phenyl)sulfonylamino]benzoic acid [(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H24ClN3O7S MolecularWeight: 509.95986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN3O7S/c1-14(21(27)24-16-5-3-2-4-6-16)33-22(28)15-7-9-17(10-8-15)25-34(31,32)18-11-12-19(23)20(13-18)26(29)30/h7-14,16,25H,2-6H2,1H3,(H,24,27)/t14-/m0/s1