1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-isocyanato-pyrrolidine

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-isocyanato-pyrrolidine Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-isocyanato-pyrrolidine CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-isocyanatopyrrolidine IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-isocyanatopyrrolidine Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-isocyanato-pyrrolidine Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)N=C=O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)N=C=O

InChI

InChI=1S/C13H14N2O5S/c16-9-14-13-2-1-5-15(13)21(17,18)10-3-4-11-12(8-10)20-7-6-19-11/h3-4,8,13H,1-2,5-7H2