1-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-3-phenyl-urea

Systemtic Name: 1-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-3-phenyl-urea Openeye Name: 1-phenyl-3-[2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]urea CAS Name: 1-[2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-3-phenylurea IUPAC Name: 1-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylurea Traditional Name: 1-phenyl-3-[2-(3-pyridyl)-2-tosyl-ethyl]urea Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)NC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)NC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-16-9-11-19(12-10-16)28(26,27)20(17-6-5-13-22-14-17)15-23-21(25)24-18-7-3-2-4-8-18/h2-14,20H,15H2,1H3,(H2,23,24,25)