3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-1-phenylmethoxy-but-3-en-2-one

Systemtic Name: 3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-1-phenylmethoxy-but-3-en-2-one Openeye Name: 1-benzyloxy-3-[1-(p-tolylsulfonyl)pyrrolidin-2-yl]but-3-en-2-one CAS Name: 3-[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-1-phenylmethoxy-3-buten-2-one IUPAC Name: 3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-1-phenylmethoxybut-3-en-2-one Traditional Name: 1-benzoxy-3-(1-tosylpyrrolidin-2-yl)but-3-en-2-one Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=C)C(=O)COCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=C)C(=O)COCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO4S/c1-17-10-12-20(13-11-17)28(25,26)23-14-6-9-21(23)18(2)22(24)16-27-15-19-7-4-3-5-8-19/h3-5,7-8,10-13,21H,2,6,9,14-16H2,1H3