phenyl 3-(2-hydroxyphenyl)-4-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 3-(2-hydroxyphenyl)-4-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 3-(2-hydroxyphenyl)-4-(3-isopropylsulfonylpiperazin-1-yl)benzenesulfonate CAS Name: 3-(2-hydroxyphenyl)-4-(3-propan-2-ylsulfonyl-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(2-hydroxyphenyl)-4-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Traditional Name: 3-(2-hydroxyphenyl)-4-(3-isopropylsulfonylpiperazino)benzenesulfonic acid phenyl ester Formula: C25H28N2O6S2 MolecularWeight: 516.62962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

InChI

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