1-[5-(2-hydroxyphenyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-(phenylmethyl)piperazine

Systemtic Name: 1-[5-(2-hydroxyphenyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-(phenylmethyl)piperazine Openeye Name: 3-benzyl-1-[5-(2-hydroxyphenyl)-2-(isopropylsulfonylsulfonylamino)phenyl]piperazine CAS Name: 1-[5-(2-hydroxyphenyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-(phenylmethyl)piperazine IUPAC Name: 3-benzyl-1-[5-(2-hydroxyphenyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine Traditional Name: 3-benzyl-1-[5-(2-hydroxyphenyl)-2-(isopropylsulfonylsulfonylamino)phenyl]piperazine Formula: C26H31N3O5S2 MolecularWeight: 529.67144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)S(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2O)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)S(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2O)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O5S2/c1-19(2)35(31,32)36(33,34)28-24-13-12-21(23-10-6-7-11-26(23)30)17-25(24)29-15-14-27-22(18-29)16-20-8-4-3-5-9-20/h3-13,17,19,22,27-28,30H,14-16,18H2,1-2H3