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

Systemtic Name: phenyl 5-methoxy-2-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 2-(3-isopropylsulfonylpiperazin-1-yl)-5-methoxy-benzenesulfonate CAS Name: 5-methoxy-2-(3-propan-2-ylsulfonyl-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-methoxy-2-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Traditional Name: 2-(3-isopropylsulfonylpiperazino)-5-methoxy-benzenesulfonic acid phenyl ester Formula: C20H26N2O6S2 MolecularWeight: 454.56024

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)OC)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O6S2/c1-15(2)29(23,24)20-14-22(12-11-21-20)18-10-9-17(27-3)13-19(18)30(25,26)28-16-7-5-4-6-8-16/h4-10,13,15,20-21H,11-12,14H2,1-3H3