N-[[(2S)-5-chloranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]butan-1-amine

Systemtic Name: N-[[(2S)-5-chloranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]butan-1-amine Openeye Name: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]butan-1-amine CAS Name: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-1-butanamine IUPAC Name: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]butan-1-amine Traditional Name: butyl-[[(2S)-5-chloro-7-mesyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]amine Formula: C14H20ClNO4S MolecularWeight: 333.8309

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1COC2=C(C=C(C=C2O1)S(=O)(=O)C)Cl

Isomeric SMILES

CCCCNC[C@H]1COC2=C(C=C(C=C2O1)S(=O)(=O)C)Cl

InChI

InChI=1S/C14H20ClNO4S/c1-3-4-5-16-8-10-9-19-14-12(15)6-11(21(2,17)18)7-13(14)20-10/h6-7,10,16H,3-5,8-9H2,1-2H3/t10-/m0/s1