phenyl 3-ethyl-4-(3-oxidanylpiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 3-ethyl-4-(3-oxidanylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 3-ethyl-4-(3-hydroxypiperazin-1-yl)benzenesulfonate CAS Name: 3-ethyl-4-(3-hydroxy-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-ethyl-4-(3-hydroxypiperazin-1-yl)benzenesulfonate Traditional Name: 3-ethyl-4-(3-hydroxypiperazino)benzenesulfonic acid phenyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)O

Isomeric SMILES

CCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)O

InChI

InChI=1S/C18H22N2O4S/c1-2-14-12-16(25(22,23)24-15-6-4-3-5-7-15)8-9-17(14)20-11-10-19-18(21)13-20/h3-9,12,18-19,21H,2,10-11,13H2,1H3