N-[(3-chlorophenyl)methyl]-2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-(4-methylsulfonyl-2-nitro-anilino)acetamide CAS Name: N-[(3-chlorophenyl)methyl]-2-(4-methylsulfonyl-2-nitroanilino)acetamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-(4-methylsulfonyl-2-nitroanilino)acetamide Traditional Name: N-(3-chlorobenzyl)-2-(4-mesyl-2-nitro-anilino)acetamide Formula: C16H16ClN3O5S MolecularWeight: 397.83334

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC(=O)NCC2=CC(=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC(=O)NCC2=CC(=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H16ClN3O5S/c1-26(24,25)13-5-6-14(15(8-13)20(22)23)18-10-16(21)19-9-11-3-2-4-12(17)7-11/h2-8,18H,9-10H2,1H3,(H,19,21)