[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C16H21N3O7S2 MolecularWeight: 431.48384

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O7S2/c1-27-14-7-6-12(8-13(14)19(22)23)28(24,25)17-9-16(21)26-10-15(20)18-11-4-2-3-5-11/h6-8,11,17H,2-5,9-10H2,1H3,(H,18,20)