2-azanyl-6-(4-methylsulfonylphenyl)-1-(1,3-thiazolidin-3-yl)hexan-1-one; methanamine

Systemtic Name: 2-azanyl-6-(4-methylsulfonylphenyl)-1-(1,3-thiazolidin-3-yl)hexan-1-one; methanamine Openeye Name: 2-amino-6-(4-methylsulfonylphenyl)-1-thiazolidin-3-yl-hexan-1-one; methanamine CAS Name: 2-amino-6-(4-methylsulfonylphenyl)-1-(3-thiazolidinyl)-1-hexanone; methanamine IUPAC Name: 2-amino-6-(4-methylsulfonylphenyl)-1-(1,3-thiazolidin-3-yl)hexan-1-one; methanamine Traditional Name: 2-amino-6-(4-mesylphenyl)-1-thiazolidin-3-yl-hexan-1-one; methylamine Formula: C17H29N3O3S2 MolecularWeight: 387.56046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN.CS(=O)(=O)C1=CC=C(C=C1)CCCCC(C(=O)N2CCSC2)N

Isomeric SMILES

CN.CS(=O)(=O)C1=CC=C(C=C1)CCCCC(C(=O)N2CCSC2)N

InChI

InChI=1S/C16H24N2O3S2.CH5N/c1-23(20,21)14-8-6-13(7-9-14)4-2-3-5-15(17)16(19)18-10-11-22-12-18;1-2/h6-9,15H,2-5,10-12,17H2,1H3;2H2,1H3