(E)-3-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-4-hydroxy-5-methoxy-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-4-hydroxy-5-methoxy-phenyl)-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Cl)O

InChI

InChI=1S/C20H20ClNO5S/c1-27-19-13-14(12-17(21)20(19)24)4-9-18(23)15-5-7-16(8-6-15)28(25,26)22-10-2-3-11-22/h4-9,12-13,24H,2-3,10-11H2,1H3/b9-4+