3-tert-butyl-1-[4-(3,4-dichlorophenyl)-5-oxidanylidene-pentyl]-1-(phenylsulfonyl)urea

Systemtic Name: 3-tert-butyl-1-[4-(3,4-dichlorophenyl)-5-oxidanylidene-pentyl]-1-(phenylsulfonyl)urea Openeye Name: 1-(benzenesulfonyl)-3-tert-butyl-1-[4-(3,4-dichlorophenyl)-5-oxo-pentyl]urea CAS Name: 1-(benzenesulfonyl)-3-tert-butyl-1-[4-(3,4-dichlorophenyl)-5-oxopentyl]urea IUPAC Name: 1-(benzenesulfonyl)-3-tert-butyl-1-[4-(3,4-dichlorophenyl)-5-oxopentyl]urea Traditional Name: 1-besyl-3-tert-butyl-1-[4-(3,4-dichlorophenyl)-5-keto-pentyl]urea Formula: C22H26Cl2N2O4S MolecularWeight: 485.42384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CCCC(C=O)C1=CC(=C(C=C1)Cl)Cl)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)N(CCCC(C=O)C1=CC(=C(C=C1)Cl)Cl)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H26Cl2N2O4S/c1-22(2,3)25-21(28)26(31(29,30)18-9-5-4-6-10-18)13-7-8-17(15-27)16-11-12-19(23)20(24)14-16/h4-6,9-12,14-15,17H,7-8,13H2,1-3H3,(H,25,28)