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

Systemtic Name: (3S)-3-isocyanato-1-(3-methylphenyl)sulfonyl-piperidine Openeye Name: (3S)-3-isocyanato-1-(m-tolylsulfonyl)piperidine CAS Name: (3S)-3-isocyanato-1-(3-methylphenyl)sulfonylpiperidine IUPAC Name: (3S)-3-isocyanato-1-(3-methylphenyl)sulfonylpiperidine Traditional Name: (3S)-3-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)N2CCCC(C2)N=C=O

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3S/c1-11-4-2-6-13(8-11)19(17,18)15-7-3-5-12(9-15)14-10-16/h2,4,6,8,12H,3,5,7,9H2,1H3/t12-/m0/s1