(3S)-3-isocyanato-1-(4-methylphenyl)sulfonyl-piperidine

Systemtic Name: (3S)-3-isocyanato-1-(4-methylphenyl)sulfonyl-piperidine Openeye Name: (3S)-3-isocyanato-1-(p-tolylsulfonyl)piperidine CAS Name: (3S)-3-isocyanato-1-(4-methylphenyl)sulfonylpiperidine IUPAC Name: (3S)-3-isocyanato-1-(4-methylphenyl)sulfonylpiperidine Traditional Name: (3S)-3-isocyanato-1-tosyl-piperidine Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)N=C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)N=C=O

InChI

InChI=1S/C13H16N2O3S/c1-11-4-6-13(7-5-11)19(17,18)15-8-2-3-12(9-15)14-10-16/h4-7,12H,2-3,8-9H2,1H3/t12-/m0/s1