2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl benzoate

Systemtic Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl benzoate Openeye Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl benzoate CAS Name: benzoic acid 2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl benzoate Traditional Name: benzoic acid 2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-17-8-9-20(16-18(17)2)28(25,26)23-12-10-22(11-13-23)14-15-27-21(24)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3