N-(1,3-benzodioxol-5-ylmethyl)-1-(5-chloranyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(5-chloranyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(5-chloro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(5-chloro-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(5-chloro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(5-chloro-1,3-benzothiazol-2-yl)-N-piperonyl-isonipecotamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC5=C(S4)C=CC(=C5)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC5=C(S4)C=CC(=C5)Cl

InChI

InChI=1S/C21H20ClN3O3S/c22-15-2-4-19-16(10-15)24-21(29-19)25-7-5-14(6-8-25)20(26)23-11-13-1-3-17-18(9-13)28-12-27-17/h1-4,9-10,14H,5-8,11-12H2,(H,23,26)