1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]ethanone CAS Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]ethanone IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]ethanone Formula: C21H27N3O3S3 MolecularWeight: 465.65238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(S4)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(S4)C

InChI

InChI=1S/C21H27N3O3S3/c1-16-7-8-21(29-16)30(26,27)23-13-11-22(12-14-23)15-20(25)24-10-9-17(2)28-19-6-4-3-5-18(19)24/h3-8,17H,9-15H2,1-2H3