N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]acetamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C20H22ClN3O6S2 MolecularWeight: 499.98818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O6S2/c1-30-18-7-4-14(10-17(18)24(26)27)12-31-13-20(25)22-15-5-6-16(21)19(11-15)32(28,29)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,22,25)