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

Systemtic Name: (2S)-2-isocyanato-1-(3-methylphenyl)sulfonyl-piperidine Openeye Name: (2S)-2-isocyanato-1-(m-tolylsulfonyl)piperidine CAS Name: (2S)-2-isocyanato-1-(3-methylphenyl)sulfonylpiperidine IUPAC Name: (2S)-2-isocyanato-1-(3-methylphenyl)sulfonylpiperidine Traditional Name: (2S)-2-isocyanato-1-(m-tolylsulfonyl)piperidine Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2N=C=O

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCCC[C@H]2N=C=O

InChI

InChI=1S/C13H16N2O3S/c1-11-5-4-6-12(9-11)19(17,18)15-8-3-2-7-13(15)14-10-16/h4-6,9,13H,2-3,7-8H2,1H3/t13-/m0/s1