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

Systemtic Name: N-[[(2S)-5-chloranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine Openeye Name: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine CAS Name: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine IUPAC Name: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine Traditional Name: [(2S)-5-chloro-7-mesyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl-ethyl-amine Formula: C12H16ClNO4S MolecularWeight: 305.77774

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1COC2=C(C=C(C=C2O1)S(=O)(=O)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClNO4S/c1-3-14-6-8-7-17-12-10(13)4-9(19(2,15)16)5-11(12)18-8/h4-5,8,14H,3,6-7H2,1-2H3/t8-/m0/s1