methyl 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]-4-methoxy-benzoate

Systemtic Name: methyl 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]-4-methoxy-benzoate Openeye Name: methyl 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethoxy]-4-methoxy-benzoate CAS Name: 2-[2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]-4-methoxybenzoic acid methyl ester IUPAC Name: methyl 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]-4-methoxybenzoate Traditional Name: 2-[2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethoxy]-4-methoxy-benzoic acid methyl ester Formula: C21H23ClN2O7S MolecularWeight: 482.93452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O7S/c1-29-16-5-8-18(21(26)30-2)19(13-16)31-14-20(25)23-9-11-24(12-10-23)32(27,28)17-6-3-15(22)4-7-17/h3-8,13H,9-12,14H2,1-2H3