phenyl N-[2-(3-bromanylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)phenyl]ethyl]sulfamate

Systemtic Name: phenyl N-[2-(3-bromanylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)phenyl]ethyl]sulfamate Openeye Name: phenyl N-[2-(3-bromopiperazin-1-yl)-2-[4-(2-hydroxyphenyl)phenyl]ethyl]sulfamate CAS Name: N-[2-(3-bromo-1-piperazinyl)-2-[4-(2-hydroxyphenyl)phenyl]ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(3-bromopiperazin-1-yl)-2-[4-(2-hydroxyphenyl)phenyl]ethyl]sulfamate Traditional Name: N-[2-(3-bromopiperazino)-2-[4-(2-hydroxyphenyl)phenyl]ethyl]sulfamic acid phenyl ester Formula: C24H26BrN3O4S MolecularWeight: 532.44994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)Br)C(CNS(=O)(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC(N1)Br)C(CNS(=O)(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4O

InChI

InChI=1S/C24H26BrN3O4S/c25-24-17-28(15-14-26-24)22(16-27-33(30,31)32-20-6-2-1-3-7-20)19-12-10-18(11-13-19)21-8-4-5-9-23(21)29/h1-13,22,24,26-27,29H,14-17H2