N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: [2-[(4-mesyl-2-nitro-anilino)methyl]benzyl]-dimethyl-amine Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=CC=CC=C1CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S/c1-19(2)12-14-7-5-4-6-13(14)11-18-16-9-8-15(25(3,23)24)10-17(16)20(21)22/h4-10,18H,11-12H2,1-3H3