N-methyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]butanamide

Systemtic Name: N-methyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]butanamide Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: N-methyl-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]butanamide IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-4-(methylthio)-2-(tosylamino)butyramide Formula: C24H30N4O3S2 MolecularWeight: 486.65

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N(C)CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N(C)CC2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N4O3S2/c1-19-9-11-22(12-10-19)33(30,31)26-23(13-14-32-3)24(29)27(2)16-21-15-25-28(18-21)17-20-7-5-4-6-8-20/h4-12,15,18,23,26H,13-14,16-17H2,1-3H3