ethyl 4-phenyl-2-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-phenyl-2-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[3-[4-(1-piperidylsulfonyl)phenyl]propanoylamino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[3-(4-piperidinosulfonylphenyl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C27H30N2O5S2 MolecularWeight: 526.6675

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C27H30N2O5S2/c1-2-34-27(31)25-23(21-9-5-3-6-10-21)19-35-26(25)28-24(30)16-13-20-11-14-22(15-12-20)36(32,33)29-17-7-4-8-18-29/h3,5-6,9-12,14-15,19H,2,4,7-8,13,16-18H2,1H3,(H,28,30)