phenyl 3-(3-oxidanylpiperazin-1-yl)-4-(propan-2-ylsulfonylsulfonylamino)benzenesulfonate

Systemtic Name: phenyl 3-(3-oxidanylpiperazin-1-yl)-4-(propan-2-ylsulfonylsulfonylamino)benzenesulfonate Openeye Name: phenyl 3-(3-hydroxypiperazin-1-yl)-4-(isopropylsulfonylsulfonylamino)benzenesulfonate CAS Name: 3-(3-hydroxy-1-piperazinyl)-4-(propan-2-ylsulfonylsulfonylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-hydroxypiperazin-1-yl)-4-(propan-2-ylsulfonylsulfonylamino)benzenesulfonate Traditional Name: 3-(3-hydroxypiperazino)-4-(isopropylsulfonylsulfonylamino)benzenesulfonic acid phenyl ester Formula: C19H25N3O8S3 MolecularWeight: 519.6121

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)S(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)O

Isomeric SMILES

CC(C)S(=O)(=O)S(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)O

InChI

InChI=1S/C19H25N3O8S3/c1-14(2)32(26,27)33(28,29)21-17-9-8-16(12-18(17)22-11-10-20-19(23)13-22)31(24,25)30-15-6-4-3-5-7-15/h3-9,12,14,19-21,23H,10-11,13H2,1-2H3