phenyl 4-[2-(2-hydroxyphenyl)-4-propan-2-ylsulfonyl-phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(2-hydroxyphenyl)-4-propan-2-ylsulfonyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(2-hydroxyphenyl)-4-isopropylsulfonyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(2-hydroxyphenyl)-4-propan-2-ylsulfonylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(2-hydroxyphenyl)-4-propan-2-ylsulfonylphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(2-hydroxyphenyl)-4-isopropylsulfonyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C25H28N2O6S2 MolecularWeight: 516.62962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C25H28N2O6S2/c1-18(2)34(29,30)20-12-13-23(22(16-20)21-10-6-7-11-24(21)28)27-15-14-26-25(17-27)35(31,32)33-19-8-4-3-5-9-19/h3-13,16,18,25-26,28H,14-15,17H2,1-2H3