N-[3-chloranyl-4-[(3-methylsulfonylphenyl)carbonylamino]phenyl]-3-methyl-2-nitro-benzamide

Systemtic Name: N-[3-chloranyl-4-[(3-methylsulfonylphenyl)carbonylamino]phenyl]-3-methyl-2-nitro-benzamide Openeye Name: N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-methyl-2-nitro-benzamide CAS Name: N-[3-chloro-4-[[(3-methylsulfonylphenyl)-oxomethyl]amino]phenyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-methyl-2-nitrobenzamide Traditional Name: N-[3-chloro-4-[(3-mesylbenzoyl)amino]phenyl]-3-methyl-2-nitro-benzamide Formula: C22H18ClN3O6S MolecularWeight: 487.91282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C22H18ClN3O6S/c1-13-5-3-8-17(20(13)26(29)30)22(28)24-15-9-10-19(18(23)12-15)25-21(27)14-6-4-7-16(11-14)33(2,31)32/h3-12H,1-2H3,(H,24,28)(H,25,27)