3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-propanone IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Formula: C20H21NO5S2 MolecularWeight: 419.51444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21NO5S2/c22-20(21-9-3-12-27-19-5-2-1-4-16(19)21)8-13-28(23,24)15-6-7-17-18(14-15)26-11-10-25-17/h1-2,4-7,14H,3,8-13H2