(2S)-2-isocyanato-1-(3-methylphenyl)sulfonyl-pyrrolidine

Systemtic Name: (2S)-2-isocyanato-1-(3-methylphenyl)sulfonyl-pyrrolidine Openeye Name: (2S)-2-isocyanato-1-(m-tolylsulfonyl)pyrrolidine CAS Name: (2S)-2-isocyanato-1-(3-methylphenyl)sulfonylpyrrolidine IUPAC Name: (2S)-2-isocyanato-1-(3-methylphenyl)sulfonylpyrrolidine Traditional Name: (2S)-2-isocyanato-1-(m-tolylsulfonyl)pyrrolidine Formula: C12H14N2O3S MolecularWeight: 266.31616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCC[C@H]2N=C=O

InChI

InChI=1S/C12H14N2O3S/c1-10-4-2-5-11(8-10)18(16,17)14-7-3-6-12(14)13-9-15/h2,4-5,8,12H,3,6-7H2,1H3/t12-/m0/s1