(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]methanone IUPAC Name: (5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-[4-(4-methylpiperazino)sulfonylpiperazino]methanone Formula: C22H36N4O3S2 MolecularWeight: 468.67624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C22H36N4O3S2/c1-22(2,3)18-5-6-19-17(15-18)16-20(30-19)21(27)24-9-13-26(14-10-24)31(28,29)25-11-7-23(4)8-12-25/h16,18H,5-15H2,1-4H3