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

Systemtic Name: ethyl 5-(3-nitrophenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(3-nitrophenyl)-3-[[4-(1-piperidylsulfonyl)benzoyl]amino]thiophene-2-carboxylate CAS Name: 5-(3-nitrophenyl)-3-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-nitrophenyl)-3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate Traditional Name: 5-(3-nitrophenyl)-3-[(4-piperidinosulfonylbenzoyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C25H25N3O7S2 MolecularWeight: 543.6119

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H25N3O7S2/c1-2-35-25(30)23-21(16-22(36-23)18-7-6-8-19(15-18)28(31)32)26-24(29)17-9-11-20(12-10-17)37(33,34)27-13-4-3-5-14-27/h6-12,15-16H,2-5,13-14H2,1H3,(H,26,29)