12-[[2-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfanylphenyl]amino]-12-oxidanylidene-dodecane-1-sulfinic acid

Systemtic Name: 12-[[2-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfanylphenyl]amino]-12-oxidanylidene-dodecane-1-sulfinic acid Openeye Name: 12-[2-(3-amino-2-methyl-3-oxo-propyl)sulfanylanilino]-12-oxo-dodecane-1-sulfinic acid CAS Name: 12-[2-[(3-amino-2-methyl-3-oxopropyl)thio]anilino]-12-oxo-1-dodecanesulfinic acid IUPAC Name: 12-[2-(3-amino-2-methyl-3-oxopropyl)sulfanylanilino]-12-oxododecane-1-sulfinic acid Traditional Name: 12-[2-[(3-amino-3-keto-2-methyl-propyl)thio]anilino]-12-keto-dodecane-1-sulfinic acid Formula: C22H36N2O4S2 MolecularWeight: 456.66224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1NC(=O)CCCCCCCCCCCS(=O)O)C(=O)N

Isomeric SMILES

CC(CSC1=CC=CC=C1NC(=O)CCCCCCCCCCCS(=O)O)C(=O)N

InChI

InChI=1S/C22H36N2O4S2/c1-18(22(23)26)17-29-20-14-11-10-13-19(20)24-21(25)15-9-7-5-3-2-4-6-8-12-16-30(27)28/h10-11,13-14,18H,2-9,12,15-17H2,1H3,(H2,23,26)(H,24,25)(H,27,28)