1-(2,5-dimethylphenyl)sulfonyl-2-isocyanato-pyrrolidine

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-2-isocyanato-pyrrolidine Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-2-isocyanato-pyrrolidine CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-2-isocyanatopyrrolidine IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-2-isocyanatopyrrolidine Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-2-isocyanato-pyrrolidine Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCC2N=C=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCC2N=C=O

InChI

InChI=1S/C13H16N2O3S/c1-10-5-6-11(2)12(8-10)19(17,18)15-7-3-4-13(15)14-9-16/h5-6,8,13H,3-4,7H2,1-2H3