phenyl 2-(3-oxidanylpiperazin-1-yl)-5-(phenylmethyl)benzenesulfonate

Systemtic Name: phenyl 2-(3-oxidanylpiperazin-1-yl)-5-(phenylmethyl)benzenesulfonate Openeye Name: phenyl 5-benzyl-2-(3-hydroxypiperazin-1-yl)benzenesulfonate CAS Name: 2-(3-hydroxy-1-piperazinyl)-5-(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-benzyl-2-(3-hydroxypiperazin-1-yl)benzenesulfonate Traditional Name: 5-benzyl-2-(3-hydroxypiperazino)benzenesulfonic acid phenyl ester Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)O)C2=C(C=C(C=C2)CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)O)C2=C(C=C(C=C2)CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O4S/c26-23-17-25(14-13-24-23)21-12-11-19(15-18-7-3-1-4-8-18)16-22(21)30(27,28)29-20-9-5-2-6-10-20/h1-12,16,23-24,26H,13-15,17H2