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

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]sulfonyl-3-pentyl-urea Openeye Name: 1-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]sulfonyl-3-pentyl-urea CAS Name: 1-[2-[(4-chlorophenyl)thio]-5-nitrophenyl]sulfonyl-3-pentylurea IUPAC Name: 1-[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]sulfonyl-3-pentylurea Traditional Name: 1-amyl-3-[2-[(4-chlorophenyl)thio]-5-nitro-phenyl]sulfonyl-urea Formula: C18H20ClN3O5S2 MolecularWeight: 457.9515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O5S2/c1-2-3-4-11-20-18(23)21-29(26,27)17-12-14(22(24)25)7-10-16(17)28-15-8-5-13(19)6-9-15/h5-10,12H,2-4,11H2,1H3,(H2,20,21,23)