1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(3-morpholin-4-ylsulfonylphenyl)amino]ethanone

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(3-morpholin-4-ylsulfonylphenyl)amino]ethanone Openeye Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3-morpholinosulfonylanilino)ethanone CAS Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[3-(4-morpholinylsulfonyl)anilino]ethanone IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3-morpholin-4-ylsulfonylanilino)ethanone Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3-morpholinosulfonylanilino)ethanone Formula: C22H27N3O4S2 MolecularWeight: 461.59748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CNC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CNC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H27N3O4S2/c1-17-9-10-25(20-7-2-3-8-21(20)30-17)22(26)16-23-18-5-4-6-19(15-18)31(27,28)24-11-13-29-14-12-24/h2-8,15,17,23H,9-14,16H2,1H3