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

Systemtic Name: phenyl 4-[2-[(2-hydroxyphenyl)sulfonylamino]-5-(2-methylpropyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-[(2-hydroxyphenyl)sulfonylamino]-5-isobutyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-[(2-hydroxyphenyl)sulfonylamino]-5-(2-methylpropyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-[(2-hydroxyphenyl)sulfonylamino]-5-(2-methylpropyl)phenyl]piperazine-2-sulfonate Traditional Name: 4-[2-[(2-hydroxyphenyl)sulfonylamino]-5-isobutyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C26H31N3O6S2 MolecularWeight: 545.67084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O6S2/c1-19(2)16-20-12-13-22(28-36(31,32)25-11-7-6-10-24(25)30)23(17-20)29-15-14-27-26(18-29)37(33,34)35-21-8-4-3-5-9-21/h3-13,17,19,26-28,30H,14-16,18H2,1-2H3