1-(3,4-dimethylphenyl)sulfonyl-3-isocyanato-piperidine

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-3-isocyanato-piperidine Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-3-isocyanato-piperidine CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-3-isocyanatopiperidine IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-3-isocyanatopiperidine Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-3-isocyanato-piperidine Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S/c1-11-5-6-14(8-12(11)2)20(18,19)16-7-3-4-13(9-16)15-10-17/h5-6,8,13H,3-4,7,9H2,1-2H3