methyl 4-[(E)-3-oxidanylidene-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(4-benzylsulfonylpiperazin-1-yl)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-[4-(phenylmethyl)sulfonyl-1-piperazinyl]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(4-benzylsulfonylpiperazin-1-yl)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(4-benzylsulfonylpiperazino)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O5S/c1-29-22(26)20-10-7-18(8-11-20)9-12-21(25)23-13-15-24(16-14-23)30(27,28)17-19-5-3-2-4-6-19/h2-12H,13-17H2,1H3/b12-9+