4-oxidanylidene-N-(thiophen-2-ylmethyl)-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanamide

Systemtic Name: 4-oxidanylidene-N-(thiophen-2-ylmethyl)-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanamide Openeye Name: 4-oxo-N-(2-thienylmethyl)-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanamide CAS Name: 4-oxo-N-(thiophen-2-ylmethyl)-4-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]butanamide IUPAC Name: 4-oxo-N-(thiophen-2-ylmethyl)-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanamide Traditional Name: 4-keto-4-(4-mesitylsulfonylpiperazino)-N-(2-thenyl)butyramide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCC3=CC=CS3)C

InChI

InChI=1S/C22H29N3O4S2/c1-16-13-17(2)22(18(3)14-16)31(28,29)25-10-8-24(9-11-25)21(27)7-6-20(26)23-15-19-5-4-12-30-19/h4-5,12-14H,6-11,15H2,1-3H3,(H,23,26)