phenyl 4-(ethoxysulfonylamino)-3-[3-(phenylmethyl)piperazin-1-yl]benzenesulfonate

Systemtic Name: phenyl 4-(ethoxysulfonylamino)-3-[3-(phenylmethyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 3-(3-benzylpiperazin-1-yl)-4-(ethoxysulfonylamino)benzenesulfonate CAS Name: 4-(ethoxysulfonylamino)-3-[3-(phenylmethyl)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-benzylpiperazin-1-yl)-4-(ethoxysulfonylamino)benzenesulfonate Traditional Name: 3-(3-benzylpiperazino)-4-(ethoxysulfonylamino)benzenesulfonic acid phenyl ester Formula: C25H29N3O6S2 MolecularWeight: 531.64426

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

InChI

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