1-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-3-(4-chlorophenyl)urea

Systemtic Name: 1-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-3-(4-chlorophenyl)urea Openeye Name: 1-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-3-(4-chlorophenyl)urea CAS Name: 1-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-3-(4-chlorophenyl)urea IUPAC Name: 1-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-3-(4-chlorophenyl)urea Traditional Name: 1-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-3-(4-chlorophenyl)urea Formula: C21H18ClN3O5S MolecularWeight: 459.90272

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNC(=O)NC3=CC=C(C=C3)Cl)C4=CN=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNC(=O)NC3=CC=C(C=C3)Cl)C4=CN=CC=C4

InChI

InChI=1S/C21H18ClN3O5S/c22-15-3-5-16(6-4-15)25-21(26)24-12-20(14-2-1-9-23-11-14)31(27,28)17-7-8-18-19(10-17)30-13-29-18/h1-11,20H,12-13H2,(H2,24,25,26)