4-methylsulfonyl-2-nitro-N-[(2S)-2-phenylbutyl]aniline

Systemtic Name: 4-methylsulfonyl-2-nitro-N-[(2S)-2-phenylbutyl]aniline Openeye Name: 4-methylsulfonyl-2-nitro-N-[(2S)-2-phenylbutyl]aniline CAS Name: 4-methylsulfonyl-2-nitro-N-[(2S)-2-phenylbutyl]aniline IUPAC Name: 4-methylsulfonyl-2-nitro-N-[(2S)-2-phenylbutyl]aniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[(2S)-2-phenylbutyl]amine Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C17H20N2O4S/c1-3-13(14-7-5-4-6-8-14)12-18-16-10-9-15(24(2,22)23)11-17(16)19(20)21/h4-11,13,18H,3,12H2,1-2H3/t13-/m1/s1