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

Systemtic Name: phenyl 4-(phenoxysulfonylsulfonylamino)-3-[3-(phenylmethyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 3-(3-benzylpiperazin-1-yl)-4-(phenoxysulfonylsulfonylamino)benzenesulfonate CAS Name: 4-(phenoxysulfonylsulfonylamino)-3-[3-(phenylmethyl)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-benzylpiperazin-1-yl)-4-(phenoxysulfonylsulfonylamino)benzenesulfonate Traditional Name: 3-(3-benzylpiperazino)-4-(phenoxysulfonylsulfonylamino)benzenesulfonic acid phenyl ester Formula: C29H29N3O8S3 MolecularWeight: 643.75086

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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)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)NS(=O)(=O)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O8S3/c33-41(34,39-25-12-6-2-7-13-25)27-16-17-28(31-42(35,36)43(37,38)40-26-14-8-3-9-15-26)29(21-27)32-19-18-30-24(22-32)20-23-10-4-1-5-11-23/h1-17,21,24,30-31H,18-20,22H2