N-[4-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-oxoethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetyl]phenyl]methanesulfonamide Formula: C19H21N3O8S2 MolecularWeight: 483.51534

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O8S2/c1-31(26,27)20-15-6-4-14(5-7-15)18(23)13-30-19-9-8-16(12-17(19)22(24)25)32(28,29)21-10-2-3-11-21/h4-9,12,20H,2-3,10-11,13H2,1H3