3-[4-(4-methoxy-2-methyl-phenyl)sulfonylpiperazin-1-yl]carbonylbenzoate

Systemtic Name: 3-[4-(4-methoxy-2-methyl-phenyl)sulfonylpiperazin-1-yl]carbonylbenzoate Openeye Name: 3-[4-(4-methoxy-2-methyl-phenyl)sulfonylpiperazine-1-carbonyl]benzoate CAS Name: 3-[[4-(4-methoxy-2-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzoate IUPAC Name: 3-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 3-[4-(4-methoxy-2-methyl-phenyl)sulfonylpiperazine-1-carbonyl]benzoate Formula: C20H21N2O6S- MolecularWeight: 417.45554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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