7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 2-methyl-7-(4-piperonylpiperazino)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H25N3O5S2/c1-15-10-22(26)23-18-12-17(3-5-21(18)31-15)32(27,28)25-8-6-24(7-9-25)13-16-2-4-19-20(11-16)30-14-29-19/h2-5,11-12,15H,6-10,13-14H2,1H3,(H,23,26)