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

Systemtic Name: methyl N-[2-(3-bromanylpiperazin-1-yl)-4-(2-hydroxyphenyl)phenyl]sulfamate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl N-[2-(3-bromopiperazin-1-yl)-4-(2-hydroxyphenyl)phenyl]sulfamate Traditional Name: N-[2-(3-bromopiperazino)-4-(2-hydroxyphenyl)phenyl]sulfamic acid methyl ester Formula: C17H20BrN3O4S MolecularWeight: 442.3274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3O4S/c1-25-26(23,24)20-14-7-6-12(13-4-2-3-5-16(13)22)10-15(14)21-9-8-19-17(18)11-21/h2-7,10,17,19-20,22H,8-9,11H2,1H3