N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(4-chloro-3-morpholinosulfonyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(4-chloro-3-morpholinosulfonyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C20H19ClN6O6S2 MolecularWeight: 538.98446

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN6O6S2/c1-25-12-22-24-20(25)34-17-5-2-13(10-16(17)27(29)30)19(28)23-14-3-4-15(21)18(11-14)35(31,32)26-6-8-33-9-7-26/h2-5,10-12H,6-9H2,1H3,(H,23,28)