phenyl 4-[4-(2-hydroxyphenyl)-2-propyl-phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[4-(2-hydroxyphenyl)-2-propyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[4-(2-hydroxyphenyl)-2-propyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[4-(2-hydroxyphenyl)-2-propylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[4-(2-hydroxyphenyl)-2-propylphenyl]piperazine-2-sulfonate Traditional Name: 4-[4-(2-hydroxyphenyl)-2-propyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4S/c1-2-8-20-17-19(22-11-6-7-12-24(22)28)13-14-23(20)27-16-15-26-25(18-27)32(29,30)31-21-9-4-3-5-10-21/h3-7,9-14,17,25-26,28H,2,8,15-16,18H2,1H3