N-[2-[(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethyl]methanesulfonamide

Systemtic Name: N-[2-[(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethyl]methanesulfonamide Openeye Name: N-[2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-anilino)ethyl]methanesulfonamide CAS Name: N-[2-[4-nitro-2-(1-pyrrolidinylsulfonyl)anilino]ethyl]methanesulfonamide IUPAC Name: N-[2-(4-nitro-2-pyrrolidin-1-ylsulfonylanilino)ethyl]methanesulfonamide Traditional Name: N-[2-(4-nitro-2-pyrrolidinosulfonyl-anilino)ethyl]methanesulfonamide Formula: C13H20N4O6S2 MolecularWeight: 392.4511

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC2

Isomeric SMILES

CS(=O)(=O)NCCNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC2

InChI

InChI=1S/C13H20N4O6S2/c1-24(20,21)15-7-6-14-12-5-4-11(17(18)19)10-13(12)25(22,23)16-8-2-3-9-16/h4-5,10,14-15H,2-3,6-9H2,1H3