(2,6-dimethylphenyl) 3-(4-methylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (2,6-dimethylphenyl) 3-(4-methylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (2,6-dimethylphenyl) 3-(4-methylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-methyl-1-piperazinyl)sulfonyl]benzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 3-(4-methylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-methylpiperazino)sulfonylbenzoic acid (2,6-dimethylphenyl) ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C20H24N2O4S/c1-15-6-4-7-16(2)19(15)26-20(23)17-8-5-9-18(14-17)27(24,25)22-12-10-21(3)11-13-22/h4-9,14H,10-13H2,1-3H3