3-(4-methylphenyl)sulfonyl-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea

Systemtic Name: 3-(4-methylphenyl)sulfonyl-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea Openeye Name: 1-(3-morpholinopropyl)-3-(p-tolylsulfonyl)-1-(4-pyridylmethyl)urea CAS Name: 3-(4-methylphenyl)sulfonyl-1-[3-(4-morpholinyl)propyl]-1-(pyridin-4-ylmethyl)urea IUPAC Name: 3-(4-methylphenyl)sulfonyl-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea Traditional Name: 1-(3-morpholinopropyl)-1-(4-pyridylmethyl)-3-tosyl-urea Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CCCN2CCOCC2)CC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CCCN2CCOCC2)CC3=CC=NC=C3

InChI

InChI=1S/C21H28N4O4S/c1-18-3-5-20(6-4-18)30(27,28)23-21(26)25(17-19-7-9-22-10-8-19)12-2-11-24-13-15-29-16-14-24/h3-10H,2,11-17H2,1H3,(H,23,26)