phenyl 4-[5-propan-2-ylsulfonyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[5-propan-2-ylsulfonyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-isopropylsulfonyl-2-(isopropylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate CAS Name: 4-[5-propan-2-ylsulfonyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-propan-2-ylsulfonyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Traditional Name: 4-[5-isopropylsulfonyl-2-(isopropylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C22H31N3O9S4 MolecularWeight: 609.75624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O9S4/c1-16(2)35(26,27)19-10-11-20(24-38(32,33)37(30,31)17(3)4)21(14-19)25-13-12-23-22(15-25)36(28,29)34-18-8-6-5-7-9-18/h5-11,14,16-17,22-24H,12-13,15H2,1-4H3