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

Systemtic Name: phenyl 3-methyl-4-(3-oxidanylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 4-(3-hydroxypiperazin-1-yl)-3-methyl-benzenesulfonate CAS Name: 4-(3-hydroxy-1-piperazinyl)-3-methylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-hydroxypiperazin-1-yl)-3-methylbenzenesulfonate Traditional Name: 4-(3-hydroxypiperazino)-3-methyl-benzenesulfonic acid phenyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)O

InChI

InChI=1S/C17H20N2O4S/c1-13-11-15(24(21,22)23-14-5-3-2-4-6-14)7-8-16(13)19-10-9-18-17(20)12-19/h2-8,11,17-18,20H,9-10,12H2,1H3