N-(1,3-benzodioxol-5-ylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-piperonyl-nipecotamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O4S/c1-27-16-5-6-17-20(10-16)30-22(24-17)25-8-2-3-15(12-25)21(26)23-11-14-4-7-18-19(9-14)29-13-28-18/h4-7,9-10,15H,2-3,8,11-13H2,1H3,(H,23,26)