[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-[(2,5-dimethyl-3-nitro-phenyl)sulfonylamino]benzoate

Systemtic Name: [(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-[(2,5-dimethyl-3-nitro-phenyl)sulfonylamino]benzoate Openeye Name: [(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2-[(2,5-dimethyl-3-nitro-phenyl)sulfonylamino]benzoate CAS Name: 2-[(2,5-dimethyl-3-nitrophenyl)sulfonylamino]benzoic acid [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-[(2,5-dimethyl-3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(2,5-dimethyl-3-nitro-phenyl)sulfonylamino]benzoic acid [(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H29N3O7S MolecularWeight: 503.56796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OC(C)C(=O)NC3CCCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)O[C@@H](C)C(=O)NC3CCCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C24H29N3O7S/c1-15-13-21(27(30)31)16(2)22(14-15)35(32,33)26-20-12-8-7-11-19(20)24(29)34-17(3)23(28)25-18-9-5-4-6-10-18/h7-8,11-14,17-18,26H,4-6,9-10H2,1-3H3,(H,25,28)/t17-/m0/s1