3-[[2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: 3-[[2-[4-chloro-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-[4-chloro-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]thio]methyl]benzoate IUPAC Name: 3-[[2-(4-chloro-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-(4-chloro-3-piperidinosulfonyl-anilino)-2-keto-ethyl]thio]methyl]benzoate Formula: C21H22ClN2O5S2- MolecularWeight: 481.99278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CSCC3=CC=CC(=C3)C(=O)[O-])Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CSCC3=CC=CC(=C3)C(=O)[O-])Cl

InChI

InChI=1S/C21H23ClN2O5S2/c22-18-8-7-17(12-19(18)31(28,29)24-9-2-1-3-10-24)23-20(25)14-30-13-15-5-4-6-16(11-15)21(26)27/h4-8,11-12H,1-3,9-10,13-14H2,(H,23,25)(H,26,27)/p-1