N-[4-[[2-(2-hydroxyethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[[2-(2-hydroxyethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[[2-(2-hydroxyethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[2-(2-hydroxyethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[[2-(2-hydroxyethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-methylbenzamide Traditional Name: N-[4-[[2-(2-hydroxyethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-methyl-benzamide Formula: C25H24N2O4S2 MolecularWeight: 480.59906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3C=CC(SC4=CC=CC=C43)CCO

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3C=CC(SC4=CC=CC=C43)CCO

InChI

InChI=1S/C25H24N2O4S2/c1-18-6-2-3-7-22(18)25(29)26-19-10-12-21(13-11-19)33(30,31)27-16-14-20(15-17-28)32-24-9-5-4-8-23(24)27/h2-14,16,20,28H,15,17H2,1H3,(H,26,29)