N-(1,3-benzodioxol-5-yl)-1-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[oxo-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)isonipecotamide Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)SCCC(=O)N5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)SCCC(=O)N5

InChI

InChI=1S/C23H23N3O5S/c27-21-7-10-32-20-4-1-15(11-17(20)25-21)23(29)26-8-5-14(6-9-26)22(28)24-16-2-3-18-19(12-16)31-13-30-18/h1-4,11-12,14H,5-10,13H2,(H,24,28)(H,25,27)