[2-[5-[2-(methylsulfonylamino)ethyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[5-[2-(methylsulfonylamino)ethyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-[5-[2-(methanesulfonamido)ethyl]-2-thienyl]-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-[5-[2-(methanesulfonamido)ethyl]-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-keto-2-[5-[2-(methanesulfonamido)ethyl]-2-thienyl]ethyl] ester Formula: C20H23N3O7S2 MolecularWeight: 481.54252

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCC1=CC=C(S1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CS(=O)(=O)NCCC1=CC=C(S1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C20H23N3O7S2/c1-32(28,29)21-9-8-15-5-7-19(31-15)18(24)13-30-20(25)16-12-14(23(26)27)4-6-17(16)22-10-2-3-11-22/h4-7,12,21H,2-3,8-11,13H2,1H3