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

Systemtic Name: phenyl 4-[2-(ethoxysulfonylamino)-5-propan-2-ylsulfonyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(ethoxysulfonylamino)-5-isopropylsulfonyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(ethoxysulfonylamino)-5-propan-2-ylsulfonylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(ethoxysulfonylamino)-5-propan-2-ylsulfonylphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(ethoxysulfonylamino)-5-isopropylsulfonyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C21H29N3O8S3 MolecularWeight: 547.66526

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)C(C)C)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)C(C)C)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O8S3/c1-4-31-35(29,30)23-19-11-10-18(33(25,26)16(2)3)14-20(19)24-13-12-22-21(15-24)34(27,28)32-17-8-6-5-7-9-17/h5-11,14,16,21-23H,4,12-13,15H2,1-3H3