2-[(4-chlorophenyl)-methylsulfonyl-amino]-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-[(4-chlorophenyl)-methylsulfonyl-amino]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-(4-chloro-N-methylsulfonyl-anilino)-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-(4-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-(4-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-(4-chloro-N-mesyl-anilino)-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C17H18ClN3O6S MolecularWeight: 427.85932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C17H18ClN3O6S/c1-11(20(28(3,25)26)13-6-4-12(18)5-7-13)17(22)19-15-10-14(21(23)24)8-9-16(15)27-2/h4-11H,1-3H3,(H,19,22)