2-chloranyl-N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-5-morpholinosulfonyl-benzamide CAS Name: 2-chloro-N-methyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-methyl-5-morpholinosulfonyl-benzamide Formula: C21H24ClN3O5S2 MolecularWeight: 498.01536

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C21H24ClN3O5S2/c1-24(14-20(26)23-18-5-3-4-6-19(18)31-2)21(27)16-13-15(7-8-17(16)22)32(28,29)25-9-11-30-12-10-25/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)