N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]propanamide

Systemtic Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]propanamide Openeye Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]propanamide CAS Name: N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]propanamide IUPAC Name: N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]propanamide Traditional Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-2-(4-isovalerylpiperazino)propionamide Formula: C21H34N4O4S MolecularWeight: 438.58406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C(C)N2CCN(CC2)C(=O)CC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C(C)N2CCN(CC2)C(=O)CC(C)C

InChI

InChI=1S/C21H34N4O4S/c1-15(2)13-20(26)25-11-9-24(10-12-25)17(4)21(27)22-19-14-18(8-7-16(19)3)30(28,29)23(5)6/h7-8,14-15,17H,9-13H2,1-6H3,(H,22,27)