phenyl 4-[2-(oxidanylamino)-1-[4-(phenylmethyl)phenyl]ethyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(oxidanylamino)-1-[4-(phenylmethyl)phenyl]ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[1-(4-benzylphenyl)-2-(hydroxyamino)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(hydroxyamino)-1-[4-(phenylmethyl)phenyl]ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(4-benzylphenyl)-2-(hydroxyamino)ethyl]piperazine-2-sulfonate Traditional Name: 4-[1-(4-benzylphenyl)-2-(hydroxyamino)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C(CNO)C3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C(CNO)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4S/c29-27-18-24(22-13-11-21(12-14-22)17-20-7-3-1-4-8-20)28-16-15-26-25(19-28)33(30,31)32-23-9-5-2-6-10-23/h1-14,24-27,29H,15-19H2