methyl 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylmethyl]benzoate

Systemtic Name: methyl 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylmethyl]benzoate Openeye Name: methyl 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylmethyl]benzoate CAS Name: 4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylmethyl]benzoate Traditional Name: 4-[[4-(2,3-dimethylphenyl)piperazino]sulfonylmethyl]benzoic acid methyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C21H26N2O4S/c1-16-5-4-6-20(17(16)2)22-11-13-23(14-12-22)28(25,26)15-18-7-9-19(10-8-18)21(24)27-3/h4-10H,11-15H2,1-3H3