3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-morpholin-4-ylsulfonylphenyl)methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-morpholin-4-ylsulfonylphenyl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-morpholinosulfonylphenyl)methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[3-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-morpholinosulfonylphenyl)methanone Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S2/c23-20(22-9-4-14-27-19-8-2-1-7-18(19)22)16-5-3-6-17(15-16)28(24,25)21-10-12-26-13-11-21/h1-3,5-8,15H,4,9-14H2