5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-benzoic acid

Systemtic Name: 5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-benzoic acid Openeye Name: 5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-benzoic acid CAS Name: 5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxybenzoic acid IUPAC Name: 5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxybenzoic acid Traditional Name: 5-(4-ethylpiperazino)sulfonyl-2-propoxy-benzoic acid Formula: C16H24N2O5S MolecularWeight: 356.43716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O5S/c1-3-11-23-15-6-5-13(12-14(15)16(19)20)24(21,22)18-9-7-17(4-2)8-10-18/h5-6,12H,3-4,7-11H2,1-2H3,(H,19,20)