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

Systemtic Name: 3-methyl-7-(4-propylpiperazin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 3-methyl-7-(4-propylpiperazin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 3-methyl-7-[(4-propyl-1-piperazinyl)sulfonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 3-methyl-7-(4-propylpiperazin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 3-methyl-7-(4-propylpiperazino)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C17H25N3O3S2 MolecularWeight: 383.5287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(C(=O)N3)C

Isomeric SMILES

CCCN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(C(=O)N3)C

InChI

InChI=1S/C17H25N3O3S2/c1-3-6-19-7-9-20(10-8-19)25(22,23)14-4-5-16-15(11-14)18-17(21)13(2)12-24-16/h4-5,11,13H,3,6-10,12H2,1-2H3,(H,18,21)