ethyl 4-[4-[3-(3-chloranyl-4-methyl-phenyl)propanoyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[3-(3-chloranyl-4-methyl-phenyl)propanoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[3-(3-chloro-4-methyl-phenyl)propanoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[3-(3-chloro-4-methylphenyl)-1-oxopropyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-(3-chloro-4-methylphenyl)propanoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[3-(3-chloro-4-methyl-phenyl)propanoyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C23H27ClN2O5S/c1-3-31-23(28)19-7-9-20(10-8-19)32(29,30)26-14-12-25(13-15-26)22(27)11-6-18-5-4-17(2)21(24)16-18/h4-5,7-10,16H,3,6,11-15H2,1-2H3