ethyl 3-[methylsulfonyl-(3-nitro-4-pyridin-2-ylsulfanyl-phenyl)carbonyl-amino]benzoate

Systemtic Name: ethyl 3-[methylsulfonyl-(3-nitro-4-pyridin-2-ylsulfanyl-phenyl)carbonyl-amino]benzoate Openeye Name: ethyl 3-[methylsulfonyl-[3-nitro-4-(2-pyridylsulfanyl)benzoyl]amino]benzoate CAS Name: 3-[methylsulfonyl-[[3-nitro-4-(2-pyridinylthio)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[methylsulfonyl-(3-nitro-4-pyridin-2-ylsulfanylbenzoyl)amino]benzoate Traditional Name: 3-[mesyl-[3-nitro-4-(2-pyridylthio)benzoyl]amino]benzoic acid ethyl ester Formula: C22H19N3O7S2 MolecularWeight: 501.53216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC(=C(C=C2)SC3=CC=CC=N3)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC(=C(C=C2)SC3=CC=CC=N3)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C22H19N3O7S2/c1-3-32-22(27)16-7-6-8-17(13-16)24(34(2,30)31)21(26)15-10-11-19(18(14-15)25(28)29)33-20-9-4-5-12-23-20/h4-14H,3H2,1-2H3