phenyl 4-(3-ethoxypiperazin-1-yl)-3-(phenylsulfonyl)benzenesulfonate

Systemtic Name: phenyl 4-(3-ethoxypiperazin-1-yl)-3-(phenylsulfonyl)benzenesulfonate Openeye Name: phenyl 3-(benzenesulfonyl)-4-(3-ethoxypiperazin-1-yl)benzenesulfonate CAS Name: 3-(benzenesulfonyl)-4-(3-ethoxy-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(benzenesulfonyl)-4-(3-ethoxypiperazin-1-yl)benzenesulfonate Traditional Name: 3-besyl-4-(3-ethoxypiperazino)benzenesulfonic acid phenyl ester Formula: C24H26N2O6S2 MolecularWeight: 502.60304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H26N2O6S2/c1-2-31-24-18-26(16-15-25-24)22-14-13-21(34(29,30)32-19-9-5-3-6-10-19)17-23(22)33(27,28)20-11-7-4-8-12-20/h3-14,17,24-25H,2,15-16,18H2,1H3