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

Systemtic Name: phenyl 4-[2,4-bis(propan-2-ylsulfonyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2,4-bis(isopropylsulfonyl)phenyl]piperazine-2-sulfonate CAS Name: 4-[2,4-bis(propan-2-ylsulfonyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2,4-bis(propan-2-ylsulfonyl)phenyl]piperazine-2-sulfonate Traditional Name: 4-[2,4-bis(isopropylsulfonyl)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C22H30N2O7S3 MolecularWeight: 530.6778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O7S3/c1-16(2)32(25,26)19-10-11-20(21(14-19)33(27,28)17(3)4)24-13-12-23-22(15-24)34(29,30)31-18-8-6-5-7-9-18/h5-11,14,16-17,22-23H,12-13,15H2,1-4H3