3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)thiophene-2-carboxamide

Systemtic Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)thiophene-2-carboxamide Openeye Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-N-isobutyl-thiophene-2-carboxamide CAS Name: 3-[[4-(2,5-dimethylphenyl)-1-piperazinyl]sulfonyl]-N-(2-methylpropyl)-2-thiophenecarboxamide IUPAC Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)thiophene-2-carboxamide Traditional Name: 3-[4-(2,5-dimethylphenyl)piperazino]sulfonyl-N-isobutyl-thiophene-2-carboxamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)NCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)NCC(C)C

InChI

InChI=1S/C21H29N3O3S2/c1-15(2)14-22-21(25)20-19(7-12-28-20)29(26,27)24-10-8-23(9-11-24)18-13-16(3)5-6-17(18)4/h5-7,12-13,15H,8-11,14H2,1-4H3,(H,22,25)