N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Formula: C21H24ClN3O3S2 MolecularWeight: 466.01656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCCSC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCCSC4=CC=CC=C43

InChI

InChI=1S/C21H24ClN3O3S2/c22-17-9-8-16(30(27,28)25-11-3-4-12-25)14-18(17)23-21(26)15-24-10-5-13-29-20-7-2-1-6-19(20)24/h1-2,6-9,14H,3-5,10-13,15H2,(H,23,26)