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

Systemtic Name: phenyl 4-[2-(chloranylamino)-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(chloroamino)-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(chloroamino)-1-(4-phenoxysulfonylphenyl)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(chloroamino)-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(chloroamino)-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C24H26ClN3O6S2 MolecularWeight: 552.06274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C(CNCl)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C(CNCl)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H26ClN3O6S2/c25-27-17-23(19-11-13-22(14-12-19)35(29,30)33-20-7-3-1-4-8-20)28-16-15-26-24(18-28)36(31,32)34-21-9-5-2-6-10-21/h1-14,23-24,26-27H,15-18H2