3-(phenylmethyl)-1-[5-(phenylsulfonyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine

Systemtic Name: 3-(phenylmethyl)-1-[5-(phenylsulfonyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine Openeye Name: 1-[5-(benzenesulfonyl)-2-(isopropylsulfonylsulfonylamino)phenyl]-3-benzyl-piperazine CAS Name: 1-[5-(benzenesulfonyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-(phenylmethyl)piperazine IUPAC Name: 1-[5-(benzenesulfonyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-benzylpiperazine Traditional Name: 3-benzyl-1-[5-besyl-2-(isopropylsulfonylsulfonylamino)phenyl]piperazine Formula: C26H31N3O6S3 MolecularWeight: 577.73584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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