5-chloranyl-N-[2-[4-methyl-3-(methylcarbamoylsulfinamoyloxy)phenyl]ethyl]-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-[2-[4-methyl-3-(methylcarbamoylsulfinamoyloxy)phenyl]ethyl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[2-[4-methyl-3-(methylcarbamoylsulfinamoyloxy)phenyl]ethyl]-2-nitro-benzamide CAS Name: 5-chloro-N-[2-[4-methyl-3-(methylcarbamoylsulfinamoyloxy)phenyl]ethyl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[2-[4-methyl-3-(methylcarbamoylsulfinamoyloxy)phenyl]ethyl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[2-[4-methyl-3-(methylcarbamoylsulfinamoyloxy)phenyl]ethyl]-2-nitro-benzamide Formula: C18H19ClN4O6S MolecularWeight: 454.88466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])OS(=O)NC(=O)NC

Isomeric SMILES

CC1=C(C=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])OS(=O)NC(=O)NC

InChI

InChI=1S/C18H19ClN4O6S/c1-11-3-4-12(9-16(11)29-30(28)22-18(25)20-2)7-8-21-17(24)14-10-13(19)5-6-15(14)23(26)27/h3-6,9-10H,7-8H2,1-2H3,(H,21,24)(H2,20,22,25)