phenyl 4-(4-methoxy-2-phenoxysulfonyl-phenyl)piperazine-2-sulfonate

Systemtic Name: phenyl 4-(4-methoxy-2-phenoxysulfonyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(4-methoxy-2-phenoxysulfonyl-phenyl)piperazine-2-sulfonate CAS Name: 4-(4-methoxy-2-phenoxysulfonylphenyl)-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-methoxy-2-phenoxysulfonylphenyl)piperazine-2-sulfonate Traditional Name: 4-(4-methoxy-2-phenoxysulfonyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C23H24N2O7S2 MolecularWeight: 504.57586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O7S2/c1-30-20-12-13-21(22(16-20)33(26,27)31-18-8-4-2-5-9-18)25-15-14-24-23(17-25)34(28,29)32-19-10-6-3-7-11-19/h2-13,16,23-24H,14-15,17H2,1H3