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

Systemtic Name: 1-[5-(2-methylpropyl)-2-(methylsulfanylsulfonylamino)phenyl]-3-propan-2-ylsulfonyl-piperazine Openeye Name: 1-[5-isobutyl-2-(methylsulfanylsulfonylamino)phenyl]-3-isopropylsulfonyl-piperazine CAS Name: 1-[5-(2-methylpropyl)-2-[(methylthio)sulfonylamino]phenyl]-3-propan-2-ylsulfonylpiperazine IUPAC Name: 1-[5-(2-methylpropyl)-2-(methylsulfanylsulfonylamino)phenyl]-3-propan-2-ylsulfonylpiperazine Traditional Name: 1-[5-isobutyl-2-[(methylthio)sulfonylamino]phenyl]-3-isopropylsulfonyl-piperazine Formula: C18H31N3O4S3 MolecularWeight: 449.65144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3O4S3/c1-13(2)10-15-6-7-16(20-28(24,25)26-5)17(11-15)21-9-8-19-18(12-21)27(22,23)14(3)4/h6-7,11,13-14,18-20H,8-10,12H2,1-5H3