1-tert-butyl-3-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]sulfonyl-urea

Systemtic Name: 1-tert-butyl-3-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]sulfonyl-urea Openeye Name: 1-tert-butyl-3-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]sulfonyl-urea CAS Name: 1-tert-butyl-3-[2-[(4-chlorophenyl)thio]-5-nitrophenyl]sulfonylurea IUPAC Name: 1-tert-butyl-3-[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]sulfonylurea Traditional Name: 1-tert-butyl-3-[2-[(4-chlorophenyl)thio]-5-nitro-phenyl]sulfonyl-urea Formula: C17H18ClN3O5S2 MolecularWeight: 443.92492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H18ClN3O5S2/c1-17(2,3)19-16(22)20-28(25,26)15-10-12(21(23)24)6-9-14(15)27-13-7-4-11(18)5-8-13/h4-10H,1-3H3,(H2,19,20,22)