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

Systemtic Name: 1-(4-chlorophenyl)-3-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]urea Openeye Name: 1-(4-chlorophenyl)-3-[(2S)-2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]urea CAS Name: 1-(4-chlorophenyl)-3-[(2S)-2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]urea Traditional Name: 1-(4-chlorophenyl)-3-[(2S)-2-(3-pyridyl)-2-tosyl-ethyl]urea Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@H](CNC(=O)NC2=CC=C(C=C2)Cl)C3=CN=CC=C3

InChI

InChI=1S/C21H20ClN3O3S/c1-15-4-10-19(11-5-15)29(27,28)20(16-3-2-12-23-13-16)14-24-21(26)25-18-8-6-17(22)7-9-18/h2-13,20H,14H2,1H3,(H2,24,25,26)/t20-/m1/s1