N-(2-methylsulfanylphenyl)-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-(2-methylsulfanylphenyl)-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-(2-methylsulfanylphenyl)-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[2-(methylthio)phenyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-(2-methylsulfanylphenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [2-(methylthio)phenyl]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S2/c1-26-17-5-3-2-4-15(17)18-14-7-6-13(12-16(14)20(21)22)27(23,24)19-8-10-25-11-9-19/h2-7,12,18H,8-11H2,1H3