phenyl N-[2-(3-oxidanylpiperazin-1-yl)-2-[4-(phenylmethyl)phenyl]ethyl]sulfamate

Systemtic Name: phenyl N-[2-(3-oxidanylpiperazin-1-yl)-2-[4-(phenylmethyl)phenyl]ethyl]sulfamate Openeye Name: phenyl N-[2-(4-benzylphenyl)-2-(3-hydroxypiperazin-1-yl)ethyl]sulfamate CAS Name: N-[2-(3-hydroxy-1-piperazinyl)-2-[4-(phenylmethyl)phenyl]ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(4-benzylphenyl)-2-(3-hydroxypiperazin-1-yl)ethyl]sulfamate Traditional Name: N-[2-(4-benzylphenyl)-2-(3-hydroxypiperazino)ethyl]sulfamic acid phenyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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