N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-morpholin-4-ylsulfonyl-4-nitro-aniline

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: methyl-[4-(methylthio)benzyl]-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H23N3O5S2/c1-20(14-15-3-6-17(28-2)7-4-15)18-8-5-16(22(23)24)13-19(18)29(25,26)21-9-11-27-12-10-21/h3-8,13H,9-12,14H2,1-2H3