[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate

Systemtic Name: [2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C21H23ClN2O5S2 MolecularWeight: 483.00072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H23ClN2O5S2/c22-18-10-9-17(31(27,28)24-11-5-2-6-12-24)13-19(18)23-20(25)14-29-21(26)15-30-16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,23,25)