1-[5-(2-methylpropyl)-2-(phenoxysulfonylsulfonylamino)phenyl]-3-methylsulfanyl-piperazine

Systemtic Name: 1-[5-(2-methylpropyl)-2-(phenoxysulfonylsulfonylamino)phenyl]-3-methylsulfanyl-piperazine Openeye Name: 1-[5-isobutyl-2-(phenoxysulfonylsulfonylamino)phenyl]-3-methylsulfanyl-piperazine CAS Name: 1-[5-(2-methylpropyl)-2-(phenoxysulfonylsulfonylamino)phenyl]-3-(methylthio)piperazine IUPAC Name: 1-[5-(2-methylpropyl)-2-(phenoxysulfonylsulfonylamino)phenyl]-3-methylsulfanylpiperazine Traditional Name: 1-[5-isobutyl-2-(phenoxysulfonylsulfonylamino)phenyl]-3-(methylthio)piperazine Formula: C21H29N3O5S3 MolecularWeight: 499.66706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)SC

InChI

InChI=1S/C21H29N3O5S3/c1-16(2)13-17-9-10-19(20(14-17)24-12-11-22-21(15-24)30-3)23-31(25,26)32(27,28)29-18-7-5-4-6-8-18/h4-10,14,16,21-23H,11-13,15H2,1-3H3