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

Systemtic Name: ethyl 5-(3-nitrophenyl)-3-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-5-(3-nitrophenyl)thiophene-2-carboxylate CAS Name: 3-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-5-(3-nitrophenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-5-(3-nitrophenyl)thiophene-2-carboxylate Traditional Name: 3-[(1-besylisonipecotoyl)amino]-5-(3-nitrophenyl)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)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

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)17-11-13-27(14-12-17)37(33,34)20-9-4-3-5-10-20/h3-10,15-17H,2,11-14H2,1H3,(H,26,29)