N-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[5-(diethylsulfamoyl)-2-hydroxy-phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[5-(diethylsulfamoyl)-2-hydroxy-phenyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C20H23N3O5S2/c1-3-23(4-2)30(27,28)14-6-7-17(24)15(12-14)22-20(26)13-5-8-18-16(11-13)21-19(25)9-10-29-18/h5-8,11-12,24H,3-4,9-10H2,1-2H3,(H,21,25)(H,22,26)