methyl 3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-[(E)-styryl]sulfonylpiperazin-1-yl]methyl]benzoate CAS Name: 3-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]benzoate Traditional Name: 3-[[4-[(E)-styryl]sulfonylpiperazino]methyl]benzoic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4S/c1-27-21(24)20-9-5-8-19(16-20)17-22-11-13-23(14-12-22)28(25,26)15-10-18-6-3-2-4-7-18/h2-10,15-16H,11-14,17H2,1H3/b15-10+