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

Systemtic Name: 1-[2-(methylsulfanylsulfonylamino)-5-propyl-phenyl]-3-(phenylmethyl)piperazine Openeye Name: 3-benzyl-1-[2-(methylsulfanylsulfonylamino)-5-propyl-phenyl]piperazine CAS Name: 1-[2-[(methylthio)sulfonylamino]-5-propylphenyl]-3-(phenylmethyl)piperazine IUPAC Name: 3-benzyl-1-[2-(methylsulfanylsulfonylamino)-5-propylphenyl]piperazine Traditional Name: 3-benzyl-1-[2-[(methylthio)sulfonylamino]-5-propyl-phenyl]piperazine Formula: C21H29N3O2S2 MolecularWeight: 419.60386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)SC)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)SC)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O2S2/c1-3-7-17-10-11-20(23-28(25,26)27-2)21(15-17)24-13-12-22-19(16-24)14-18-8-5-4-6-9-18/h4-6,8-11,15,19,22-23H,3,7,12-14,16H2,1-2H3