1-(4-methylphenyl)sulfonyl-3-[(3-nitrophenyl)carbamoyl]-1-pentyl-urea

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-[(3-nitrophenyl)carbamoyl]-1-pentyl-urea Openeye Name: 3-[(3-nitrophenyl)carbamoyl]-1-pentyl-1-(p-tolylsulfonyl)urea CAS Name: 1-(4-methylphenyl)sulfonyl-3-[(3-nitroanilino)-oxomethyl]-1-pentylurea IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-[(3-nitrophenyl)carbamoyl]-1-pentylurea Traditional Name: 1-amyl-3-[(3-nitrophenyl)carbamoyl]-1-tosyl-urea Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(=O)NC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCN(C(=O)NC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H24N4O6S/c1-3-4-5-13-23(31(29,30)18-11-9-15(2)10-12-18)20(26)22-19(25)21-16-7-6-8-17(14-16)24(27)28/h6-12,14H,3-5,13H2,1-2H3,(H2,21,22,25,26)