phenyl 4-[2-[(2-hydroxyphenyl)sulfonylamino]-5-methyl-phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-[(2-hydroxyphenyl)sulfonylamino]-5-methyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-[(2-hydroxyphenyl)sulfonylamino]-5-methyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-[(2-hydroxyphenyl)sulfonylamino]-5-methylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-[(2-hydroxyphenyl)sulfonylamino]-5-methylphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-[(2-hydroxyphenyl)sulfonylamino]-5-methyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C23H25N3O6S2 MolecularWeight: 503.5911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O6S2/c1-17-11-12-19(25-33(28,29)22-10-6-5-9-21(22)27)20(15-17)26-14-13-24-23(16-26)34(30,31)32-18-7-3-2-4-8-18/h2-12,15,23-25,27H,13-14,16H2,1H3