4-butylsulfonyl-N-[2-[3-[(4-methylsulfanylphenyl)methyl]imidazol-4-yl]ethyl]-1-methylsulfonyl-piperazine-2-carboxamide

Systemtic Name: 4-butylsulfonyl-N-[2-[3-[(4-methylsulfanylphenyl)methyl]imidazol-4-yl]ethyl]-1-methylsulfonyl-piperazine-2-carboxamide Openeye Name: 4-butylsulfonyl-N-[2-[3-[(4-methylsulfanylphenyl)methyl]imidazol-4-yl]ethyl]-1-methylsulfonyl-piperazine-2-carboxamide CAS Name: 4-butylsulfonyl-1-methylsulfonyl-N-[2-[3-[[4-(methylthio)phenyl]methyl]-4-imidazolyl]ethyl]-2-piperazinecarboxamide IUPAC Name: 4-butylsulfonyl-N-[2-[3-[(4-methylsulfanylphenyl)methyl]imidazol-4-yl]ethyl]-1-methylsulfonylpiperazine-2-carboxamide Traditional Name: 4-butylsulfonyl-1-mesyl-N-[2-[3-[4-(methylthio)benzyl]imidazol-4-yl]ethyl]piperazine-2-carboxamide Formula: C23H35N5O5S3 MolecularWeight: 557.7495

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCN(C(C1)C(=O)NCCC2=CN=CN2CC3=CC=C(C=C3)SC)S(=O)(=O)C

Isomeric SMILES

CCCCS(=O)(=O)N1CCN(C(C1)C(=O)NCCC2=CN=CN2CC3=CC=C(C=C3)SC)S(=O)(=O)C

InChI

InChI=1S/C23H35N5O5S3/c1-4-5-14-36(32,33)27-12-13-28(35(3,30)31)22(17-27)23(29)25-11-10-20-15-24-18-26(20)16-19-6-8-21(34-2)9-7-19/h6-9,15,18,22H,4-5,10-14,16-17H2,1-3H3,(H,25,29)