phenyl 4-[2-(phenoxysulfonylamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(phenoxysulfonylamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[1-(4-isopropylsulfonylphenyl)-2-(phenoxysulfonylamino)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(phenoxysulfonylamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(phenoxysulfonylamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[1-(4-isopropylsulfonylphenyl)-2-(phenoxysulfonylamino)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C27H33N3O8S3 MolecularWeight: 623.76122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O8S3/c1-21(2)39(31,32)25-15-13-22(14-16-25)26(19-29-41(35,36)38-24-11-7-4-8-12-24)30-18-17-28-27(20-30)40(33,34)37-23-9-5-3-6-10-23/h3-16,21,26-29H,17-20H2,1-2H3