phenyl 4-[2-(2-methylpropyl)-4-propan-2-ylsulfonyl-phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(2-methylpropyl)-4-propan-2-ylsulfonyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-(2-isobutyl-4-isopropylsulfonyl-phenyl)piperazine-2-sulfonate CAS Name: 4-[2-(2-methylpropyl)-4-propan-2-ylsulfonylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(2-methylpropyl)-4-propan-2-ylsulfonylphenyl]piperazine-2-sulfonate Traditional Name: 4-(2-isobutyl-4-isopropylsulfonyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C23H32N2O5S2 MolecularWeight: 480.64058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)S(=O)(=O)C(C)C)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)S(=O)(=O)C(C)C)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H32N2O5S2/c1-17(2)14-19-15-21(31(26,27)18(3)4)10-11-22(19)25-13-12-24-23(16-25)32(28,29)30-20-8-6-5-7-9-20/h5-11,15,17-18,23-24H,12-14,16H2,1-4H3