1-[(2S)-4-[3-(4-chlorophenyl)sulfinylazetidin-1-yl]-1-oxidanyl-butan-2-yl]-3-(3,5-dimethoxyphenyl)urea

Systemtic Name: 1-[(2S)-4-[3-(4-chlorophenyl)sulfinylazetidin-1-yl]-1-oxidanyl-butan-2-yl]-3-(3,5-dimethoxyphenyl)urea Openeye Name: 1-[(1S)-3-[3-(4-chlorophenyl)sulfinylazetidin-1-yl]-1-(hydroxymethyl)propyl]-3-(3,5-dimethoxyphenyl)urea CAS Name: 1-[(2S)-4-[3-(4-chlorophenyl)sulfinyl-1-azetidinyl]-1-hydroxybutan-2-yl]-3-(3,5-dimethoxyphenyl)urea IUPAC Name: 1-[(2S)-4-[3-(4-chlorophenyl)sulfinylazetidin-1-yl]-1-hydroxybutan-2-yl]-3-(3,5-dimethoxyphenyl)urea Traditional Name: 1-[(1S)-3-[3-(4-chlorophenyl)sulfinylazetidin-1-yl]-1-methylol-propyl]-3-(3,5-dimethoxyphenyl)urea Formula: C22H28ClN3O5S MolecularWeight: 481.99282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)NC(CCN2CC(C2)S(=O)C3=CC=C(C=C3)Cl)CO)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)N[C@@H](CCN2CC(C2)S(=O)C3=CC=C(C=C3)Cl)CO)OC

InChI

InChI=1S/C22H28ClN3O5S/c1-30-18-9-17(10-19(11-18)31-2)25-22(28)24-16(14-27)7-8-26-12-21(13-26)32(29)20-5-3-15(23)4-6-20/h3-6,9-11,16,21,27H,7-8,12-14H2,1-2H3,(H2,24,25,28)/t16-,32?/m0/s1