ethyl 5-nitro-2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-nitro-2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-nitro-2-[[4-(1-piperidylsulfonyl)benzoyl]amino]thiophene-3-carboxylate CAS Name: 5-nitro-2-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-nitro-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-nitro-2-[(4-piperidinosulfonylbenzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H21N3O7S2 MolecularWeight: 467.51594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H21N3O7S2/c1-2-29-19(24)15-12-16(22(25)26)30-18(15)20-17(23)13-6-8-14(9-7-13)31(27,28)21-10-4-3-5-11-21/h6-9,12H,2-5,10-11H2,1H3,(H,20,23)