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

Systemtic Name: phenyl 4-[2-[(2-hydroxyphenyl)sulfonylamino]-5-propyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-[(2-hydroxyphenyl)sulfonylamino]-5-propyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-[(2-hydroxyphenyl)sulfonylamino]-5-propylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-[(2-hydroxyphenyl)sulfonylamino]-5-propylphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-[(2-hydroxyphenyl)sulfonylamino]-5-propyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C25H29N3O6S2 MolecularWeight: 531.64426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O6S2/c1-2-8-19-13-14-21(27-35(30,31)24-12-7-6-11-23(24)29)22(17-19)28-16-15-26-25(18-28)36(32,33)34-20-9-4-3-5-10-20/h3-7,9-14,17,25-27,29H,2,8,15-16,18H2,1H3