4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)butanamide

Systemtic Name: 4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)butanamide Openeye Name: 4-(2,5-dichloro-N-methylsulfonyl-anilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)butanamide CAS Name: 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 4-(2,5-dichloro-N-mesyl-anilino)-N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)butyramide Formula: C22H27Cl2N3O6S2 MolecularWeight: 564.50228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)CCCN(C3=C(C=CC(=C3)Cl)Cl)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)CCCN(C3=C(C=CC(=C3)Cl)Cl)S(=O)(=O)C

InChI

InChI=1S/C22H27Cl2N3O6S2/c1-33-21-10-8-17(35(31,32)26-11-3-4-12-26)15-19(21)25-22(28)6-5-13-27(34(2,29)30)20-14-16(23)7-9-18(20)24/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,25,28)