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

Systemtic Name: phenyl 5-ethoxy-2-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 5-ethoxy-2-(3-isopropylsulfonylpiperazin-1-yl)benzenesulfonate CAS Name: 5-ethoxy-2-(3-propan-2-ylsulfonyl-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-ethoxy-2-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Traditional Name: 5-ethoxy-2-(3-isopropylsulfonylpiperazino)benzenesulfonic acid phenyl ester Formula: C21H28N2O6S2 MolecularWeight: 468.58682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)C(C)C)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)C(C)C)S(=O)(=O)OC3=CC=CC=C3

InChI

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