ethyl 2-[[1-(2-nitrophenyl)sulfonylpiperidin-3-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(2-nitrophenyl)sulfonylpiperidin-3-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(2-nitrophenyl)sulfonylpiperidine-3-carbonyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(2-nitrophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(2-nitrophenyl)sulfonylpiperidine-3-carbonyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-(2-nitrophenyl)sulfonylnipecotoyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H25N3O7S2 MolecularWeight: 543.6119

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O7S2/c1-2-35-25(30)22-19(17-9-4-3-5-10-17)16-36-24(22)26-23(29)18-11-8-14-27(15-18)37(33,34)21-13-7-6-12-20(21)28(31)32/h3-7,9-10,12-13,16,18H,2,8,11,14-15H2,1H3,(H,26,29)