(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-phenylsulfanyl-propanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-phenylsulfanyl-propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-phenylsulfanyl-propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-(phenylthio)propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-phenylsulfanylpropanamide Traditional Name: (2S)-N-cyclopentyl-2-(phenylthio)-N-piperonyl-propionamide Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC2=C(C=C1)OCO2)C3CCCC3)SC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N(CC1=CC2=C(C=C1)OCO2)C3CCCC3)SC4=CC=CC=C4

InChI

InChI=1S/C22H25NO3S/c1-16(27-19-9-3-2-4-10-19)22(24)23(18-7-5-6-8-18)14-17-11-12-20-21(13-17)26-15-25-20/h2-4,9-13,16,18H,5-8,14-15H2,1H3/t16-/m0/s1