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

Systemtic Name: methyl 3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]benzoate CAS Name: 3-[oxo-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 3-[4-[(E)-styryl]sulfonylpiperazine-1-carbonyl]benzoic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-28-21(25)19-9-5-8-18(16-19)20(24)22-11-13-23(14-12-22)29(26,27)15-10-17-6-3-2-4-7-17/h2-10,15-16H,11-14H2,1H3/b15-10+