1-cyclohexyl-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]urea

Systemtic Name: 1-cyclohexyl-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]urea Openeye Name: 1-cyclohexyl-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]urea CAS Name: 1-cyclohexyl-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]urea IUPAC Name: 1-cyclohexyl-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]urea Traditional Name: 1-cyclohexyl-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]urea Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H27N3O5S/c26-22(23-16-5-2-1-3-6-16)24-17-7-9-18(10-8-17)25-31(27,28)19-11-12-20-21(15-19)30-14-4-13-29-20/h7-12,15-16,25H,1-6,13-14H2,(H2,23,24,26)