N-(3-chloranyl-4-methyl-phenyl)-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-(3-chloro-4-methyl-phenyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(3-chloro-4-methylphenyl)acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(3-chloro-4-methylphenyl)acetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-(3-chloro-4-methyl-phenyl)acetamide Formula: C21H18ClN3O5S MolecularWeight: 459.90272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H18ClN3O5S/c1-15-10-11-16(12-20(15)22)23-21(26)14-24(17-6-5-7-18(13-17)25(27)28)31(29,30)19-8-3-2-4-9-19/h2-13H,14H2,1H3,(H,23,26)