N-methyl-3-methylsulfonyl-5-nitro-N-(phenylmethyl)thiophen-2-amine

Systemtic Name: N-methyl-3-methylsulfonyl-5-nitro-N-(phenylmethyl)thiophen-2-amine Openeye Name: N-benzyl-N-methyl-3-methylsulfonyl-5-nitro-thiophen-2-amine CAS Name: N-methyl-3-methylsulfonyl-5-nitro-N-(phenylmethyl)-2-thiophenamine IUPAC Name: N-benzyl-N-methyl-3-methylsulfonyl-5-nitrothiophen-2-amine Traditional Name: benzyl-(3-mesyl-5-nitro-2-thienyl)-methyl-amine Formula: C13H14N2O4S2 MolecularWeight: 326.39126

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=C(S2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=C(S2)[N+](=O)[O-])S(=O)(=O)C

InChI

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