phenyl 4-(4-propan-2-ylsulfonyl-2-propyl-phenyl)piperazine-2-sulfonate

Systemtic Name: phenyl 4-(4-propan-2-ylsulfonyl-2-propyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(4-isopropylsulfonyl-2-propyl-phenyl)piperazine-2-sulfonate CAS Name: 4-(4-propan-2-ylsulfonyl-2-propylphenyl)-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-propan-2-ylsulfonyl-2-propylphenyl)piperazine-2-sulfonate Traditional Name: 4-(4-isopropylsulfonyl-2-propyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C22H30N2O5S2 MolecularWeight: 466.614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)S(=O)(=O)C(C)C)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C=CC(=C1)S(=O)(=O)C(C)C)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O5S2/c1-4-8-18-15-20(30(25,26)17(2)3)11-12-21(18)24-14-13-23-22(16-24)31(27,28)29-19-9-6-5-7-10-19/h5-7,9-12,15,17,22-23H,4,8,13-14,16H2,1-3H3