1-[5-(phenylmethyl)-2-(phenylsulfonylsulfonylamino)phenyl]-3-propan-2-ylsulfonyl-piperazine

Systemtic Name: 1-[5-(phenylmethyl)-2-(phenylsulfonylsulfonylamino)phenyl]-3-propan-2-ylsulfonyl-piperazine Openeye Name: 1-[2-(benzenesulfonylsulfonylamino)-5-benzyl-phenyl]-3-isopropylsulfonyl-piperazine CAS Name: 1-[2-(benzenesulfonylsulfonylamino)-5-(phenylmethyl)phenyl]-3-propan-2-ylsulfonylpiperazine IUPAC Name: 1-[2-(benzenesulfonylsulfonylamino)-5-benzylphenyl]-3-propan-2-ylsulfonylpiperazine Traditional Name: 1-[5-benzyl-2-(besylsulfonylamino)phenyl]-3-isopropylsulfonyl-piperazine Formula: C26H31N3O6S3 MolecularWeight: 577.73584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=CC(=C2)CC3=CC=CC=C3)NS(=O)(=O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=CC(=C2)CC3=CC=CC=C3)NS(=O)(=O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O6S3/c1-20(2)36(30,31)26-19-29(16-15-27-26)25-18-22(17-21-9-5-3-6-10-21)13-14-24(25)28-38(34,35)37(32,33)23-11-7-4-8-12-23/h3-14,18,20,26-28H,15-17,19H2,1-2H3