(4-nitrophenyl) 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate

Systemtic Name: (4-nitrophenyl) 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate Openeye Name: (4-nitrophenyl) 4-[methyl(2-thienylsulfonyl)amino]butanoate CAS Name: 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate Traditional Name: 4-[methyl(2-thienylsulfonyl)amino]butyric acid (4-nitrophenyl) ester Formula: C15H16N2O6S2 MolecularWeight: 384.42734

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CN(CCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C15H16N2O6S2/c1-16(25(21,22)15-5-3-11-24-15)10-2-4-14(18)23-13-8-6-12(7-9-13)17(19)20/h3,5-9,11H,2,4,10H2,1H3