methyl 3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylpropanoate

Systemtic Name: methyl 3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylpropanoate Openeye Name: methyl 3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylpropanoate CAS Name: 3-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanylpropanoate Traditional Name: 3-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]propionic acid methyl ester Formula: C14H18N2O6S2 MolecularWeight: 374.43252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O6S2/c1-22-14(17)6-9-23-13-5-4-11(10-12(13)16(18)19)24(20,21)15-7-2-3-8-15/h4-5,10H,2-3,6-9H2,1H3