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

Systemtic Name: 7-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(4-methoxyphenyl)piperazino]sulfonyl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C21H25N3O4S2 MolecularWeight: 447.5709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H25N3O4S2/c1-15-13-21(25)22-19-14-18(7-8-20(19)29-15)30(26,27)24-11-9-23(10-12-24)16-3-5-17(28-2)6-4-16/h3-8,14-15H,9-13H2,1-2H3,(H,22,25)