phenyl 2-(3-ethoxypiperazin-1-yl)-5-propan-2-ylsulfonyl-benzenesulfonate

Systemtic Name: phenyl 2-(3-ethoxypiperazin-1-yl)-5-propan-2-ylsulfonyl-benzenesulfonate Openeye Name: phenyl 2-(3-ethoxypiperazin-1-yl)-5-isopropylsulfonyl-benzenesulfonate CAS Name: 2-(3-ethoxy-1-piperazinyl)-5-propan-2-ylsulfonylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-(3-ethoxypiperazin-1-yl)-5-propan-2-ylsulfonylbenzenesulfonate Traditional Name: 2-(3-ethoxypiperazino)-5-isopropylsulfonyl-benzenesulfonic acid phenyl ester Formula: C21H28N2O6S2 MolecularWeight: 468.58682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)C(C)C)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)C(C)C)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O6S2/c1-4-28-21-15-23(13-12-22-21)19-11-10-18(30(24,25)16(2)3)14-20(19)31(26,27)29-17-8-6-5-7-9-17/h5-11,14,16,21-22H,4,12-13,15H2,1-3H3