1-[2-(methylsulfanylsulfonylamino)-5-propyl-phenyl]-3-(phenylsulfonyl)piperazine

Systemtic Name: 1-[2-(methylsulfanylsulfonylamino)-5-propyl-phenyl]-3-(phenylsulfonyl)piperazine Openeye Name: 3-(benzenesulfonyl)-1-[2-(methylsulfanylsulfonylamino)-5-propyl-phenyl]piperazine CAS Name: 3-(benzenesulfonyl)-1-[2-[(methylthio)sulfonylamino]-5-propylphenyl]piperazine IUPAC Name: 3-(benzenesulfonyl)-1-[2-(methylsulfanylsulfonylamino)-5-propylphenyl]piperazine Traditional Name: 3-besyl-1-[2-[(methylthio)sulfonylamino]-5-propyl-phenyl]piperazine Formula: C20H27N3O4S3 MolecularWeight: 469.64108

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)SC)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)SC)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H27N3O4S3/c1-3-7-16-10-11-18(22-30(26,27)28-2)19(14-16)23-13-12-21-20(15-23)29(24,25)17-8-5-4-6-9-17/h4-6,8-11,14,20-22H,3,7,12-13,15H2,1-2H3