(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone

Systemtic Name: (2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: (2-chloro-5-morpholinosulfonyl-phenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: [2-chloro-5-(4-morpholinylsulfonyl)phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: (2-chloro-5-morpholin-4-ylsulfonylphenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (2-chloro-5-morpholinosulfonyl-phenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C20H21ClN2O4S2 MolecularWeight: 452.97474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

InChI

InChI=1S/C20H21ClN2O4S2/c21-17-7-6-15(29(25,26)22-9-11-27-12-10-22)14-16(17)20(24)23-8-3-13-28-19-5-2-1-4-18(19)23/h1-2,4-7,14H,3,8-13H2