(5-chloranyl-2-methoxy-phenyl)methyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (5-chloro-2-methoxy-phenyl)methyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid (5-chloro-2-methoxyphenyl)methyl ester IUPAC Name: (5-chloro-2-methoxyphenyl)methyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid (5-chloro-2-methoxy-benzyl) ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H23ClN2O6S/c1-15(25)23-9-11-24(12-10-23)31(27,28)19-6-3-16(4-7-19)21(26)30-14-17-13-18(22)5-8-20(17)29-2/h3-8,13H,9-12,14H2,1-2H3