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

Systemtic Name: 1-cyclohexyl-3-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]urea Openeye Name: 1-cyclohexyl-3-[(2S)-2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]urea CAS Name: 1-cyclohexyl-3-[(2S)-2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]urea IUPAC Name: 1-cyclohexyl-3-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]urea Traditional Name: 1-cyclohexyl-3-[(2S)-2-(3-pyridyl)-2-tosyl-ethyl]urea Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)NC2CCCCC2)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@H](CNC(=O)NC2CCCCC2)C3=CN=CC=C3

InChI

InChI=1S/C21H27N3O3S/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/h5-6,9-14,18,20H,2-4,7-8,15H2,1H3,(H2,23,24,25)/t20-/m1/s1