phenyl 4-[(2-hydroxyphenyl)sulfonylamino]-3-(3-methoxypiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 4-[(2-hydroxyphenyl)sulfonylamino]-3-(3-methoxypiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 4-[(2-hydroxyphenyl)sulfonylamino]-3-(3-methoxypiperazin-1-yl)benzenesulfonate CAS Name: 4-[(2-hydroxyphenyl)sulfonylamino]-3-(3-methoxy-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[(2-hydroxyphenyl)sulfonylamino]-3-(3-methoxypiperazin-1-yl)benzenesulfonate Traditional Name: 4-[(2-hydroxyphenyl)sulfonylamino]-3-(3-methoxypiperazino)benzenesulfonic acid phenyl ester Formula: C23H25N3O7S2 MolecularWeight: 519.5905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCN1)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4O

Isomeric SMILES

COC1CN(CCN1)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4O

InChI

InChI=1S/C23H25N3O7S2/c1-32-23-16-26(14-13-24-23)20-15-18(35(30,31)33-17-7-3-2-4-8-17)11-12-19(20)25-34(28,29)22-10-6-5-9-21(22)27/h2-12,15,23-25,27H,13-14,16H2,1H3