4-methylsulfonyl-N-[(3-methylthiophen-2-yl)methyl]-2-nitro-aniline

Systemtic Name: 4-methylsulfonyl-N-[(3-methylthiophen-2-yl)methyl]-2-nitro-aniline Openeye Name: 4-methylsulfonyl-N-[(3-methyl-2-thienyl)methyl]-2-nitro-aniline CAS Name: 4-methylsulfonyl-N-[(3-methyl-2-thiophenyl)methyl]-2-nitroaniline IUPAC Name: 4-methylsulfonyl-N-[(3-methylthiophen-2-yl)methyl]-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[(3-methyl-2-thienyl)methyl]amine Formula: C13H14N2O4S2 MolecularWeight: 326.39126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O4S2/c1-9-5-6-20-13(9)8-14-11-4-3-10(21(2,18)19)7-12(11)15(16)17/h3-7,14H,8H2,1-2H3