4-methoxy-3-(4-phenylpiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 4-methoxy-3-(4-phenylpiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 4-methoxy-3-(4-phenylpiperazin-1-yl)sulfonyl-benzoic acid CAS Name: 4-methoxy-3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 4-methoxy-3-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 4-methoxy-3-(4-phenylpiperazino)sulfonyl-benzoic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S/c1-25-16-8-7-14(18(21)22)13-17(16)26(23,24)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,21,22)