(2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide Traditional Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-yl)piperidino]propionamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H23N3O3S/c1-14(21(26)23-16-6-7-18-19(12-16)28-13-27-18)25-10-8-15(9-11-25)22-24-17-4-2-3-5-20(17)29-22/h2-7,12,14-15H,8-11,13H2,1H3,(H,23,26)/t14-/m0/s1