N-[3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-1-thiophen-2-yl-propyl]ethanamide

Systemtic Name: N-[3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-1-thiophen-2-yl-propyl]ethanamide Openeye Name: N-[3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-oxo-1-(2-thienyl)propyl]acetamide CAS Name: N-[3-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide IUPAC Name: N-[3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide Traditional Name: N-[3-[4-(4-tert-butylphenyl)sulfonylpiperazino]-3-keto-1-(2-thienyl)propyl]acetamide Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=CS3

InChI

InChI=1S/C23H31N3O4S2/c1-17(27)24-20(21-6-5-15-31-21)16-22(28)25-11-13-26(14-12-25)32(29,30)19-9-7-18(8-10-19)23(2,3)4/h5-10,15,20H,11-14,16H2,1-4H3,(H,24,27)