2-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]carbonylbenzoate

Systemtic Name: 2-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]carbonylbenzoate Openeye Name: 2-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazine-1-carbonyl]benzoate CAS Name: 2-[[4-(2-methoxy-5-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzoate IUPAC Name: 2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 2-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazine-1-carbonyl]benzoate Formula: C20H21N2O6S- MolecularWeight: 417.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-14-7-8-17(28-2)18(13-14)29(26,27)22-11-9-21(10-12-22)19(23)15-5-3-4-6-16(15)20(24)25/h3-8,13H,9-12H2,1-2H3,(H,24,25)/p-1