1-[5-(2-methylpropyl)-2-(phenoxysulfonylsulfonylamino)phenyl]-3-(phenylmethyl)piperazine

Systemtic Name: 1-[5-(2-methylpropyl)-2-(phenoxysulfonylsulfonylamino)phenyl]-3-(phenylmethyl)piperazine Openeye Name: 3-benzyl-1-[5-isobutyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine CAS Name: 1-[5-(2-methylpropyl)-2-(phenoxysulfonylsulfonylamino)phenyl]-3-(phenylmethyl)piperazine IUPAC Name: 3-benzyl-1-[5-(2-methylpropyl)-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine Traditional Name: 3-benzyl-1-[5-isobutyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine Formula: C27H33N3O5S2 MolecularWeight: 543.69802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O5S2/c1-21(2)17-23-13-14-26(29-36(31,32)37(33,34)35-25-11-7-4-8-12-25)27(19-23)30-16-15-28-24(20-30)18-22-9-5-3-6-10-22/h3-14,19,21,24,28-29H,15-18,20H2,1-2H3