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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)NS(=O)(=O)C5=CC=CC=C5O

Isomeric SMILES

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)NS(=O)(=O)C5=CC=CC=C5O

InChI

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