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

Systemtic Name: phenyl 4-(2-methyl-4-phenoxysulfonyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(2-methyl-4-phenoxysulfonyl-phenyl)piperazine-2-sulfonate CAS Name: 4-(2-methyl-4-phenoxysulfonylphenyl)-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(2-methyl-4-phenoxysulfonylphenyl)piperazine-2-sulfonate Traditional Name: 4-(2-methyl-4-phenoxysulfonyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C23H24N2O6S2 MolecularWeight: 488.57646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O6S2/c1-18-16-21(32(26,27)30-19-8-4-2-5-9-19)12-13-22(18)25-15-14-24-23(17-25)33(28,29)31-20-10-6-3-7-11-20/h2-13,16,23-24H,14-15,17H2,1H3