4-methoxybenzenesulfonic acid; 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]phenol

Systemtic Name: 4-methoxybenzenesulfonic acid; 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]phenol Openeye Name: 4-methoxybenzenesulfonic acid; 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]phenol CAS Name: 4-methoxybenzenesulfonic acid; 4-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]phenol IUPAC Name: 4-methoxybenzenesulfonic acid; 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]phenol Traditional Name: 4-methoxybesylic acid; 4-[4-(4-methoxyphenyl)sulfonylpiperazino]phenol Formula: C24H28N2O8S2 MolecularWeight: 536.61772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S.C7H8O4S/c1-23-16-6-8-17(9-7-16)24(21,22)19-12-10-18(11-13-19)14-2-4-15(20)5-3-14;1-11-6-2-4-7(5-3-6)12(8,9)10/h2-9,20H,10-13H2,1H3;2-5H,1H3,(H,8,9,10)