methyl 2-[4,5-dimethoxy-2-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]ethanoate

Systemtic Name: methyl 2-[4,5-dimethoxy-2-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]ethanoate Openeye Name: methyl 2-[4,5-dimethoxy-2-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]acetate CAS Name: 2-[4,5-dimethoxy-2-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4,5-dimethoxy-2-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetate Traditional Name: 2-[4,5-dimethoxy-2-(4-phenylpiperazino)sulfonyl-phenyl]acetic acid methyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O6S/c1-27-18-13-16(14-21(24)29-3)20(15-19(18)28-2)30(25,26)23-11-9-22(10-12-23)17-7-5-4-6-8-17/h4-8,13,15H,9-12,14H2,1-3H3