(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-isopropyl-4-piperidyl)-4-methylsulfanyl-butanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)-N-(1-propan-2-yl-4-piperidinyl)butanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-isopropyl-4-piperidyl)-4-(methylthio)butyramide Formula: C21H33N3O5S2 MolecularWeight: 471.63382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)N1CCC(CC1)NC(=O)[C@H](CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H33N3O5S2/c1-15(2)24-9-6-16(7-10-24)22-21(25)18(8-13-30-3)23-31(26,27)17-4-5-19-20(14-17)29-12-11-28-19/h4-5,14-16,18,23H,6-13H2,1-3H3,(H,22,25)/t18-/m0/s1