methyl 4-[3-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]benzoate

Systemtic Name: methyl 4-[3-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]benzoate Openeye Name: methyl 4-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]benzoate CAS Name: 4-[3-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]benzoate Traditional Name: 4-[3-keto-3-(4-pyrrolidinosulfonylphenyl)prop-1-enyl]benzoic acid methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H21NO5S/c1-27-21(24)18-7-4-16(5-8-18)6-13-20(23)17-9-11-19(12-10-17)28(25,26)22-14-2-3-15-22/h4-13H,2-3,14-15H2,1H3