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

Systemtic Name: N-[4-[[2-(2-hydroxyethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-phenyl-benzamide Openeye Name: N-[4-[[2-(2-hydroxyethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-phenyl-benzamide CAS Name: N-[4-[[2-(2-hydroxyethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-phenylbenzamide IUPAC Name: N-[4-[[2-(2-hydroxyethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-phenylbenzamide Traditional Name: N-[4-[[2-(2-hydroxyethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-phenyl-benzamide Formula: C30H26N2O4S2 MolecularWeight: 542.66844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4C=CC(SC5=CC=CC=C54)CCO

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4C=CC(SC5=CC=CC=C54)CCO

InChI

InChI=1S/C30H26N2O4S2/c33-21-19-24-18-20-32(28-12-6-7-13-29(28)37-24)38(35,36)25-16-14-23(15-17-25)31-30(34)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-18,20,24,33H,19,21H2,(H,31,34)