[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-[5-(1-piperidylsulfonyl)-2-thienyl]acetate CAS Name: 2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-piperidinosulfonyl-2-thienyl)acetic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C25H26N2O5S3 MolecularWeight: 530.67934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O5S3/c28-23(26-21-11-5-6-12-22(21)33-19-9-3-1-4-10-19)18-32-24(29)17-20-13-14-25(34-20)35(30,31)27-15-7-2-8-16-27/h1,3-6,9-14H,2,7-8,15-18H2,(H,26,28)