methyl 2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: methyl 2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: methyl 2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-ethoxy-5-(4-methylpiperazino)sulfonyl-benzoic acid methyl ester Formula: C15H22N2O5S MolecularWeight: 342.41058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C(=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C(=O)OC

InChI

InChI=1S/C15H22N2O5S/c1-4-22-14-6-5-12(11-13(14)15(18)21-3)23(19,20)17-9-7-16(2)8-10-17/h5-6,11H,4,7-10H2,1-3H3