1-(5-methylthiophen-2-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone

Systemtic Name: 1-(5-methylthiophen-2-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone Openeye Name: 1-(5-methyl-2-thienyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone CAS Name: 1-(5-methyl-2-thiophenyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]ethanone IUPAC Name: 1-(5-methylthiophen-2-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone Traditional Name: 1-(5-methyl-2-thienyl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)ethanone Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S2/c1-12-4-7-17(26-12)15(20)11-25-16-6-5-13(10-14(16)19(21)22)27(23,24)18-8-2-3-9-18/h4-7,10H,2-3,8-9,11H2,1H3