phenyl 4-[2-(2-methylpropyl)-4-phenoxysulfonyl-phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(2-methylpropyl)-4-phenoxysulfonyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-(2-isobutyl-4-phenoxysulfonyl-phenyl)piperazine-2-sulfonate CAS Name: 4-[2-(2-methylpropyl)-4-phenoxysulfonylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(2-methylpropyl)-4-phenoxysulfonylphenyl]piperazine-2-sulfonate Traditional Name: 4-(2-isobutyl-4-phenoxysulfonyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C26H30N2O6S2 MolecularWeight: 530.6562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O6S2/c1-20(2)17-21-18-24(35(29,30)33-22-9-5-3-6-10-22)13-14-25(21)28-16-15-27-26(19-28)36(31,32)34-23-11-7-4-8-12-23/h3-14,18,20,26-27H,15-17,19H2,1-2H3