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

Systemtic Name: 1-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-3-phenyl-urea Openeye Name: 1-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-3-phenyl-urea CAS Name: 1-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-3-phenylurea IUPAC Name: 1-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-3-phenylurea Traditional Name: 1-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-3-phenyl-urea Formula: C21H19N3O5S MolecularWeight: 425.45766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5S/c25-21(24-16-6-2-1-3-7-16)23-13-20(15-5-4-10-22-12-15)30(26,27)17-8-9-18-19(11-17)29-14-28-18/h1-12,20H,13-14H2,(H2,23,24,25)