(5-ethanoyl-2-ethoxy-phenyl)methyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C28H29ClN2O6S MolecularWeight: 557.05766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H29ClN2O6S/c1-3-36-27-12-9-21(20(2)32)17-22(27)19-37-28(33)25-18-24(10-11-26(25)29)38(34,35)31-15-13-30(14-16-31)23-7-5-4-6-8-23/h4-12,17-18H,3,13-16,19H2,1-2H3