N-(3-methylsulfanylphenyl)-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-(3-methylsulfanylphenyl)-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-(3-methylsulfanylphenyl)-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[3-(methylthio)phenyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-(3-methylsulfanylphenyl)-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [3-(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(=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

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