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

Systemtic Name: phenyl 3-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-[(phenylmethyl)sulfonylamino]benzenesulfonate Openeye Name: phenyl 4-(benzylsulfonylamino)-3-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate CAS Name: 3-[3-(2-hydroxyphenyl)-1-piperazinyl]-4-[(phenylmethyl)sulfonylamino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(benzylsulfonylamino)-3-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate Traditional Name: 4-(benzylsulfonylamino)-3-[3-(2-hydroxyphenyl)piperazino]benzenesulfonic acid phenyl ester Formula: C29H29N3O6S2 MolecularWeight: 579.68706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C2=CC=CC=C2O)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)NS(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)C2=CC=CC=C2O)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)NS(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O6S2/c33-29-14-8-7-13-25(29)27-20-32(18-17-30-27)28-19-24(40(36,37)38-23-11-5-2-6-12-23)15-16-26(28)31-39(34,35)21-22-9-3-1-4-10-22/h1-16,19,27,30-31,33H,17-18,20-21H2