2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C22H34N4O3S2 MolecularWeight: 466.66036

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H34N4O3S2/c1-19-10-13-26(20-8-4-5-9-21(20)30-19)22(27)18-23-14-16-25(17-15-23)31(28,29)24-11-6-2-3-7-12-24/h4-5,8-9,19H,2-3,6-7,10-18H2,1H3