(2S)-1-(4-methoxyphenyl)-N-(2-oxidanylsulfonothioyloxyethyl)butan-2-amine

Systemtic Name: (2S)-1-(4-methoxyphenyl)-N-(2-oxidanylsulfonothioyloxyethyl)butan-2-amine Openeye Name: (2S)-N-(2-hydroxysulfonothioyloxyethyl)-1-(4-methoxyphenyl)butan-2-amine CAS Name: (2S)-N-(2-hydroxysulfonothioyloxyethyl)-1-(4-methoxyphenyl)-2-butanamine IUPAC Name: (2S)-N-(2-hydroxysulfonothioyloxyethyl)-1-(4-methoxyphenyl)butan-2-amine Traditional Name: 2-hydroxysulfonothioyloxyethyl-[(1S)-1-p-anisylpropyl]amine Formula: C13H21NO4S2 MolecularWeight: 319.44014

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)OC)NCCOS(=O)(=S)O

Isomeric SMILES

CC[C@@H](CC1=CC=C(C=C1)OC)NCCOS(=O)(=S)O

InChI

InChI=1S/C13H21NO4S2/c1-3-12(14-8-9-18-20(15,16)19)10-11-4-6-13(17-2)7-5-11/h4-7,12,14H,3,8-10H2,1-2H3,(H,15,16,19)/t12-/m0/s1