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

Systemtic Name: 1-[2-[(4-chlorophenyl)amino]-5-nitro-phenyl]sulfonyl-3-pentyl-urea Openeye Name: 1-[2-(4-chloroanilino)-5-nitro-phenyl]sulfonyl-3-pentyl-urea CAS Name: 1-[2-(4-chloroanilino)-5-nitrophenyl]sulfonyl-3-pentylurea IUPAC Name: 1-[2-(4-chloroanilino)-5-nitrophenyl]sulfonyl-3-pentylurea Traditional Name: 1-amyl-3-[2-(4-chloroanilino)-5-nitro-phenyl]sulfonyl-urea Formula: C18H21ClN4O5S MolecularWeight: 440.90114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCNC(=O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H21ClN4O5S/c1-2-3-4-11-20-18(24)22-29(27,28)17-12-15(23(25)26)9-10-16(17)21-14-7-5-13(19)6-8-14/h5-10,12,21H,2-4,11H2,1H3,(H2,20,22,24)