6-chloranyl-2-ethanoyl-3-nitro-N-(phenylmethyl)benzenesulfonamide; urea

Systemtic Name: 6-chloranyl-2-ethanoyl-3-nitro-N-(phenylmethyl)benzenesulfonamide; urea Openeye Name: 2-acetyl-N-benzyl-6-chloro-3-nitro-benzenesulfonamide; urea CAS Name: 2-acetyl-6-chloro-3-nitro-N-(phenylmethyl)benzenesulfonamide; urea IUPAC Name: 2-acetyl-N-benzyl-6-chloro-3-nitrobenzenesulfonamide; urea Traditional Name: 2-acetyl-N-benzyl-6-chloro-3-nitro-benzenesulfonamide; urea Formula: C16H17ClN4O6S MolecularWeight: 428.84738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1S(=O)(=O)NCC2=CC=CC=C2)Cl)[N+](=O)[O-].C(=O)(N)N

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1S(=O)(=O)NCC2=CC=CC=C2)Cl)[N+](=O)[O-].C(=O)(N)N

InChI

InChI=1S/C15H13ClN2O5S.CH4N2O/c1-10(19)14-13(18(20)21)8-7-12(16)15(14)24(22,23)17-9-11-5-3-2-4-6-11;2-1(3)4/h2-8,17H,9H2,1H3;(H4,2,3,4)