3-(4-methylphenyl)sulfonyl-1-(3-morpholin-4-ium-4-ylpropyl)-1-(phenylmethyl)urea

Systemtic Name: 3-(4-methylphenyl)sulfonyl-1-(3-morpholin-4-ium-4-ylpropyl)-1-(phenylmethyl)urea Openeye Name: 1-benzyl-1-(3-morpholin-4-ium-4-ylpropyl)-3-(p-tolylsulfonyl)urea CAS Name: 3-(4-methylphenyl)sulfonyl-1-[3-(4-morpholin-4-iumyl)propyl]-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-(4-methylphenyl)sulfonyl-1-(3-morpholin-4-ium-4-ylpropyl)urea Traditional Name: 1-benzyl-1-(3-morpholin-4-ium-4-ylpropyl)-3-tosyl-urea Formula: C22H30N3O4S+ MolecularWeight: 432.5563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CCC[NH+]2CCOCC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CCC[NH+]2CCOCC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O4S/c1-19-8-10-21(11-9-19)30(27,28)23-22(26)25(18-20-6-3-2-4-7-20)13-5-12-24-14-16-29-17-15-24/h2-4,6-11H,5,12-18H2,1H3,(H,23,26)/p+1