1-(4-methylphenyl)sulfonyl-3-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]urea

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]urea Openeye Name: 1-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]-3-(p-tolylsulfonyl)urea CAS Name: 1-(4-methylphenyl)sulfonyl-3-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]urea IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]urea Traditional Name: 1-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]-3-tosyl-urea Formula: C17H23N4O3S2+ MolecularWeight: 395.51952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC(=CS2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC(=CS2)C[NH+]3CCCCC3

InChI

InChI=1S/C17H22N4O3S2/c1-13-5-7-15(8-6-13)26(23,24)20-16(22)19-17-18-14(12-25-17)11-21-9-3-2-4-10-21/h5-8,12H,2-4,9-11H2,1H3,(H2,18,19,20,22)/p+1