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

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-2-isocyanato-piperidine Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-2-isocyanato-piperidine CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-2-isocyanatopiperidine IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-2-isocyanatopiperidine Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-2-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)N2CCCCC2N=C=O

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S/c1-11-6-7-12(2)13(9-11)20(18,19)16-8-4-3-5-14(16)15-10-17/h6-7,9,14H,3-5,8H2,1-2H3