N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]amine Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(C)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)[C@H](C)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O5S/c1-11-5-8-17(24-3)14(9-11)12(2)18-15-7-6-13(25(4,22)23)10-16(15)19(20)21/h5-10,12,18H,1-4H3/t12-/m0/s1