1-methylsulfonyl-3-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]carbamoyl]-1-pentyl-urea

Systemtic Name: 1-methylsulfonyl-3-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]carbamoyl]-1-pentyl-urea Openeye Name: 3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamoyl]-1-methylsulfonyl-1-pentyl-urea CAS Name: 3-[[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-oxomethyl]-1-methylsulfonyl-1-pentylurea IUPAC Name: 3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamoyl]-1-methylsulfonyl-1-pentylurea Traditional Name: 1-amyl-3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamoyl]-1-mesyl-urea Formula: C16H24N4O7S MolecularWeight: 416.44936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O7S/c1-3-4-5-10-19(28(2,26)27)16(23)18-15(22)17-11-14(21)12-6-8-13(9-7-12)20(24)25/h6-9,14,21H,3-5,10-11H2,1-2H3,(H2,17,18,22,23)