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

Systemtic Name: phenyl 4-[2-(phenylsulfonylamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(benzenesulfonamido)-1-(4-isopropylsulfonylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(benzenesulfonamido)-1-(4-propan-2-ylsulfonylphenyl)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzenesulfonamido)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(benzenesulfonamido)-1-(4-isopropylsulfonylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C27H33N3O7S3 MolecularWeight: 607.76182

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H33N3O7S3/c1-21(2)38(31,32)24-15-13-22(14-16-24)26(19-29-39(33,34)25-11-7-4-8-12-25)30-18-17-28-27(20-30)40(35,36)37-23-9-5-3-6-10-23/h3-16,21,26-29H,17-20H2,1-2H3