2-chloranyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-methylsulfanyl-benzamide

Systemtic Name: 2-chloranyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-methylsulfanyl-benzamide Openeye Name: 2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-methylsulfanyl-benzamide CAS Name: 2-chloro-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-5-(methylthio)benzamide IUPAC Name: 2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-methylsulfanylbenzamide Traditional Name: 2-chloro-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-5-(methylthio)benzamide Formula: C20H23ClN2O4S2 MolecularWeight: 454.99062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)SC)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)SC)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H23ClN2O4S2/c1-3-27-18-9-6-14(12-19(18)29(25,26)23-10-4-5-11-23)22-20(24)16-13-15(28-2)7-8-17(16)21/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)