4-[(1S)-2,4-dimethylcyclohexyl]-N-(2-oxidanylsulfonothioyloxyethyl)butan-1-amine

Systemtic Name: 4-[(1S)-2,4-dimethylcyclohexyl]-N-(2-oxidanylsulfonothioyloxyethyl)butan-1-amine Openeye Name: 4-[(1S)-2,4-dimethylcyclohexyl]-N-(2-hydroxysulfonothioyloxyethyl)butan-1-amine CAS Name: 4-[(1S)-2,4-dimethylcyclohexyl]-N-(2-hydroxysulfonothioyloxyethyl)-1-butanamine IUPAC Name: 4-[(1S)-2,4-dimethylcyclohexyl]-N-(2-hydroxysulfonothioyloxyethyl)butan-1-amine Traditional Name: 4-[(1S)-2,4-dimethylcyclohexyl]butyl-(2-hydroxysulfonothioyloxyethyl)amine Formula: C14H29NO3S2 MolecularWeight: 323.51496

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C)CCCCNCCOS(=O)(=S)O

Isomeric SMILES

CC1CC[C@@H](C(C1)C)CCCCNCCOS(=O)(=S)O

InChI

InChI=1S/C14H29NO3S2/c1-12-6-7-14(13(2)11-12)5-3-4-8-15-9-10-18-20(16,17)19/h12-15H,3-11H2,1-2H3,(H,16,17,19)/t12?,13?,14-/m0/s1