methyl 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-benzoate

Systemtic Name: methyl 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-benzoate Openeye Name: methyl 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-4-methyl-benzoate CAS Name: 3-[[4-(2-ethoxyphenyl)-1-piperazinyl]sulfonyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-4-methylbenzoate Traditional Name: 4-methyl-3-(4-o-phenetylpiperazino)sulfonyl-benzoic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OC)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C21H26N2O5S/c1-4-28-19-8-6-5-7-18(19)22-11-13-23(14-12-22)29(25,26)20-15-17(21(24)27-3)10-9-16(20)2/h5-10,15H,4,11-14H2,1-3H3