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

Systemtic Name: 1-[5-methyl-2-(phenoxysulfonylsulfonylamino)phenyl]-3-(phenylmethyl)piperazine Openeye Name: 3-benzyl-1-[5-methyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine CAS Name: 1-[5-methyl-2-(phenoxysulfonylsulfonylamino)phenyl]-3-(phenylmethyl)piperazine IUPAC Name: 3-benzyl-1-[5-methyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine Traditional Name: 3-benzyl-1-[5-methyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine Formula: C24H27N3O5S2 MolecularWeight: 501.61828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O5S2/c1-19-12-13-23(26-33(28,29)34(30,31)32-22-10-6-3-7-11-22)24(16-19)27-15-14-25-21(18-27)17-20-8-4-2-5-9-20/h2-13,16,21,25-26H,14-15,17-18H2,1H3