N-(3-fluorophenyl)-2-(7-morpholin-4-ylsulfonyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-(7-morpholin-4-ylsulfonyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(3-fluorophenyl)-2-(7-morpholinosulfonyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-(3-fluorophenyl)-2-[7-(4-morpholinylsulfonyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-(7-morpholin-4-ylsulfonyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(3-fluorophenyl)-2-(4-keto-7-morpholinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Formula: C21H22FN3O5S2 MolecularWeight: 479.544883

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N(C1=O)CC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

C1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N(C1=O)CC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C21H22FN3O5S2/c22-15-2-1-3-16(12-15)23-20(26)14-25-18-13-17(4-5-19(18)31-11-6-21(25)27)32(28,29)24-7-9-30-10-8-24/h1-5,12-13H,6-11,14H2,(H,23,26)