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

Systemtic Name: phenyl 4-(3-oxidanylpiperazin-1-yl)-3-propyl-benzenesulfonate Openeye Name: phenyl 4-(3-hydroxypiperazin-1-yl)-3-propyl-benzenesulfonate CAS Name: 4-(3-hydroxy-1-piperazinyl)-3-propylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-hydroxypiperazin-1-yl)-3-propylbenzenesulfonate Traditional Name: 4-(3-hydroxypiperazino)-3-propyl-benzenesulfonic acid phenyl ester Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)O

InChI

InChI=1S/C19H24N2O4S/c1-2-6-15-13-17(26(23,24)25-16-7-4-3-5-8-16)9-10-18(15)21-12-11-20-19(22)14-21/h3-5,7-10,13,19-20,22H,2,6,11-12,14H2,1H3