N-[(1R)-1-cyclopropylethyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(1R)-1-cyclopropylethyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(1R)-1-cyclopropylethyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(1R)-1-cyclopropylethyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(1R)-1-cyclopropylethyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(1R)-1-cyclopropylethyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C12H16N2O4S MolecularWeight: 284.33144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(C)C2CC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N[C@H](C)C2CC2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O4S/c1-8-3-6-11(7-12(8)14(15)16)19(17,18)13-9(2)10-4-5-10/h3,6-7,9-10,13H,4-5H2,1-2H3/t9-/m1/s1