N1',N1'-dimethylethane-1,1-diamine; iodanylmethane; 1-methylsulfonyl-4-nitro-benzene

Systemtic Name: N1',N1'-dimethylethane-1,1-diamine; iodanylmethane; 1-methylsulfonyl-4-nitro-benzene Openeye Name: N1',N1'-dimethylethane-1,1-diamine; iodomethane; 1-methylsulfonyl-4-nitro-benzene CAS Name: N1',N1'-dimethylethane-1,1-diamine; iodomethane; 1-methylsulfonyl-4-nitrobenzene IUPAC Name: 1-N',1-N'-dimethylethane-1,1-diamine; iodomethane; 1-methylsulfonyl-4-nitrobenzene Traditional Name: 1-aminoethyl(dimethyl)amine; iodomethane; 1-mesyl-4-nitro-benzene Formula: C12H22IN3O4S MolecularWeight: 431.29025

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Descriptors Computed from Structure

Canonical SMILES:

CC(N)N(C)C.CS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-].CI

Isomeric SMILES

CC(N)N(C)C.CS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-].CI

InChI

InChI=1S/C7H7NO4S.C4H12N2.CH3I/c1-13(11,12)7-4-2-6(3-5-7)8(9)10;1-4(5)6(2)3;1-2/h2-5H,1H3;4H,5H2,1-3H3;1H3