phenyl 4-[2-(methylsulfanylsulfonylamino)-5-(phenylmethyl)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(methylsulfanylsulfonylamino)-5-(phenylmethyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-benzyl-2-(methylsulfanylsulfonylamino)phenyl]piperazine-2-sulfonate CAS Name: 4-[2-[(methylthio)sulfonylamino]-5-(phenylmethyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-benzyl-2-(methylsulfanylsulfonylamino)phenyl]piperazine-2-sulfonate Traditional Name: 4-[5-benzyl-2-[(methylthio)sulfonylamino]phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C24H27N3O5S3 MolecularWeight: 533.68328

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Descriptors Computed from Structure

Canonical SMILES:

CSS(=O)(=O)NC1=C(C=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSS(=O)(=O)NC1=C(C=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O5S3/c1-33-35(30,31)26-22-13-12-20(16-19-8-4-2-5-9-19)17-23(22)27-15-14-25-24(18-27)34(28,29)32-21-10-6-3-7-11-21/h2-13,17,24-26H,14-16,18H2,1H3