1-(2,5-dimethylphenyl)sulfonyl-4-isocyanato-piperidine

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-4-isocyanato-piperidine Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-4-isocyanato-piperidine CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-isocyanatopiperidine IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-4-isocyanatopiperidine Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-4-isocyanato-piperidine Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCC(CC2)N=C=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCC(CC2)N=C=O

InChI

InChI=1S/C14H18N2O3S/c1-11-3-4-12(2)14(9-11)20(18,19)16-7-5-13(6-8-16)15-10-17/h3-4,9,13H,5-8H2,1-2H3