4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]-N-(3-nitrophenyl)benzamide

Systemtic Name: 4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]-N-(3-nitrophenyl)benzamide Openeye Name: 4-[(3-chloro-N-methylsulfonyl-anilino)methyl]-N-(3-nitrophenyl)benzamide CAS Name: 4-[(3-chloro-N-methylsulfonylanilino)methyl]-N-(3-nitrophenyl)benzamide IUPAC Name: 4-[(3-chloro-N-methylsulfonylanilino)methyl]-N-(3-nitrophenyl)benzamide Traditional Name: 4-[(3-chloro-N-mesyl-anilino)methyl]-N-(3-nitrophenyl)benzamide Formula: C21H18ClN3O5S MolecularWeight: 459.90272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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