phenyl 3-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-(propan-2-ylsulfonylsulfonylamino)benzenesulfonate

Systemtic Name: phenyl 3-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-(propan-2-ylsulfonylsulfonylamino)benzenesulfonate Openeye Name: phenyl 3-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-(isopropylsulfonylsulfonylamino)benzenesulfonate CAS Name: 3-[3-(2-hydroxyphenyl)-1-piperazinyl]-4-(propan-2-ylsulfonylsulfonylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-(propan-2-ylsulfonylsulfonylamino)benzenesulfonate Traditional Name: 3-[3-(2-hydroxyphenyl)piperazino]-4-(isopropylsulfonylsulfonylamino)benzenesulfonic acid phenyl ester Formula: C25H29N3O8S3 MolecularWeight: 595.70806

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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)C4=CC=CC=C4O

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)C4=CC=CC=C4O

InChI

InChI=1S/C25H29N3O8S3/c1-18(2)38(32,33)39(34,35)27-22-13-12-20(37(30,31)36-19-8-4-3-5-9-19)16-24(22)28-15-14-26-23(17-28)21-10-6-7-11-25(21)29/h3-13,16,18,23,26-27,29H,14-15,17H2,1-2H3