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

Systemtic Name: phenyl 4-[2-[(2-hydroxyphenyl)amino]-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(2-hydroxyanilino)-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(2-hydroxyanilino)-1-(4-phenoxysulfonylphenyl)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(2-hydroxyanilino)-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(2-hydroxyanilino)-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C30H31N3O7S2 MolecularWeight: 609.71304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C(CNC3=CC=CC=C3O)C4=CC=C(C=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C(CNC3=CC=CC=C3O)C4=CC=C(C=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O7S2/c34-29-14-8-7-13-27(29)32-21-28(23-15-17-26(18-16-23)41(35,36)39-24-9-3-1-4-10-24)33-20-19-31-30(22-33)42(37,38)40-25-11-5-2-6-12-25/h1-18,28,30-32,34H,19-22H2