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

Systemtic Name: phenyl 3-phenyl-4-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 4-(3-isopropylsulfonylpiperazin-1-yl)-3-phenyl-benzenesulfonate CAS Name: 3-phenyl-4-(3-propan-2-ylsulfonyl-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-phenyl-4-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Traditional Name: 4-(3-isopropylsulfonylpiperazino)-3-phenyl-benzenesulfonic acid phenyl ester Formula: C25H28N2O5S2 MolecularWeight: 500.63022

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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=C4

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=C4

InChI

InChI=1S/C25H28N2O5S2/c1-19(2)33(28,29)25-18-27(16-15-26-25)24-14-13-22(17-23(24)20-9-5-3-6-10-20)34(30,31)32-21-11-7-4-8-12-21/h3-14,17,19,25-26H,15-16,18H2,1-2H3