methyl 5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-benzoate

Systemtic Name: methyl 5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-benzoate Openeye Name: methyl 5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-benzoate CAS Name: 5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxybenzoic acid methyl ester IUPAC Name: methyl 5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxybenzoate Traditional Name: 5-(4-ethylpiperazino)sulfonyl-2-propoxy-benzoic acid methyl ester Formula: C17H26N2O5S MolecularWeight: 370.46374

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C(=O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C(=O)OC

InChI

InChI=1S/C17H26N2O5S/c1-4-12-24-16-7-6-14(13-15(16)17(20)23-3)25(21,22)19-10-8-18(5-2)9-11-19/h6-7,13H,4-5,8-12H2,1-3H3