N-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(2-thienylmethyl)acetamide CAS Name: N-methyl-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-methyl-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-N-(2-thenyl)acetamide Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CS1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S2/c1-19(12-14-5-4-10-28-14)18(22)13-27-17-7-6-15(11-16(17)21(23)24)29(25,26)20-8-2-3-9-20/h4-7,10-11H,2-3,8-9,12-13H2,1H3