phenyl 4-[1-[4-(2-hydroxyphenyl)phenyl]-2-(propan-2-ylsulfonylamino)ethyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[1-[4-(2-hydroxyphenyl)phenyl]-2-(propan-2-ylsulfonylamino)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[1-[4-(2-hydroxyphenyl)phenyl]-2-(isopropylsulfonylamino)ethyl]piperazine-2-sulfonate CAS Name: 4-[1-[4-(2-hydroxyphenyl)phenyl]-2-(propan-2-ylsulfonylamino)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-[4-(2-hydroxyphenyl)phenyl]-2-(propan-2-ylsulfonylamino)ethyl]piperazine-2-sulfonate Traditional Name: 4-[1-[4-(2-hydroxyphenyl)phenyl]-2-(isopropylsulfonylamino)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C27H33N3O6S2 MolecularWeight: 559.69742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NCC(C1=CC=C(C=C1)C2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)NCC(C1=CC=C(C=C1)C2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O6S2/c1-20(2)37(32,33)29-18-25(22-14-12-21(13-15-22)24-10-6-7-11-26(24)31)30-17-16-28-27(19-30)38(34,35)36-23-8-4-3-5-9-23/h3-15,20,25,27-29,31H,16-19H2,1-2H3