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

Systemtic Name: ethyl N-[2-(3-bromanylpiperazin-1-yl)-4-(2-hydroxyphenyl)phenyl]sulfamate Openeye Name: ethyl N-[2-(3-bromopiperazin-1-yl)-4-(2-hydroxyphenyl)phenyl]sulfamate CAS Name: N-[2-(3-bromo-1-piperazinyl)-4-(2-hydroxyphenyl)phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[2-(3-bromopiperazin-1-yl)-4-(2-hydroxyphenyl)phenyl]sulfamate Traditional Name: N-[2-(3-bromopiperazino)-4-(2-hydroxyphenyl)phenyl]sulfamic acid ethyl ester Formula: C18H22BrN3O4S MolecularWeight: 456.35398

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2O)N3CCNC(C3)Br

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2O)N3CCNC(C3)Br

InChI

InChI=1S/C18H22BrN3O4S/c1-2-26-27(24,25)21-15-8-7-13(14-5-3-4-6-17(14)23)11-16(15)22-10-9-20-18(19)12-22/h3-8,11,18,20-21,23H,2,9-10,12H2,1H3