phenyl 5-(2-hydroxyphenyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 5-(2-hydroxyphenyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 5-(2-hydroxyphenyl)-2-(3-isopropylsulfonylpiperazin-1-yl)benzenesulfonate CAS Name: 5-(2-hydroxyphenyl)-2-(3-propan-2-ylsulfonyl-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-(2-hydroxyphenyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Traditional Name: 5-(2-hydroxyphenyl)-2-(3-isopropylsulfonylpiperazino)benzenesulfonic acid phenyl ester Formula: C25H28N2O6S2 MolecularWeight: 516.62962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=C(C=C2)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=C(C=C2)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

InChI

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