phenyl 4-[2-(bromanylamino)-1-[4-(2-hydroxyphenyl)phenyl]ethyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(bromanylamino)-1-[4-(2-hydroxyphenyl)phenyl]ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(bromoamino)-1-[4-(2-hydroxyphenyl)phenyl]ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(bromoamino)-1-[4-(2-hydroxyphenyl)phenyl]ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(bromoamino)-1-[4-(2-hydroxyphenyl)phenyl]ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(bromoamino)-1-[4-(2-hydroxyphenyl)phenyl]ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C24H26BrN3O4S MolecularWeight: 532.44994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C(CNBr)C3=CC=C(C=C3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C(CNBr)C3=CC=C(C=C3)C4=CC=CC=C4O

InChI

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