7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(2-pyridyl)piperazino]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=N4)NC1=O

InChI

InChI=1S/C18H20N4O3S2/c23-18-6-12-26-16-5-4-14(13-15(16)20-18)27(24,25)22-10-8-21(9-11-22)17-3-1-2-7-19-17/h1-5,7,13H,6,8-12H2,(H,20,23)