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

Systemtic Name: 1-[5-(2-methylpropyl)-2-(methylsulfanylsulfonylamino)phenyl]-3-(phenylmethyl)piperazine Openeye Name: 3-benzyl-1-[5-isobutyl-2-(methylsulfanylsulfonylamino)phenyl]piperazine CAS Name: 1-[5-(2-methylpropyl)-2-[(methylthio)sulfonylamino]phenyl]-3-(phenylmethyl)piperazine IUPAC Name: 3-benzyl-1-[5-(2-methylpropyl)-2-(methylsulfanylsulfonylamino)phenyl]piperazine Traditional Name: 3-benzyl-1-[5-isobutyl-2-[(methylthio)sulfonylamino]phenyl]piperazine Formula: C22H31N3O2S2 MolecularWeight: 433.63044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)SC)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)SC)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O2S2/c1-17(2)13-19-9-10-21(24-29(26,27)28-3)22(15-19)25-12-11-23-20(16-25)14-18-7-5-4-6-8-18/h4-10,15,17,20,23-24H,11-14,16H2,1-3H3