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

Systemtic Name: 7-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl]-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(5-chloro-2-methyl-phenyl)piperazino]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C21H24ClN3O3S2 MolecularWeight: 466.01656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C)NC1=O

InChI

InChI=1S/C21H24ClN3O3S2/c1-14-3-4-16(22)11-19(14)24-7-9-25(10-8-24)30(27,28)17-5-6-20-18(12-17)23-21(26)15(2)13-29-20/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,23,26)