2-methyl-5-nitro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide Openeye Name: 2-methyl-N-[(1R)-1-methyl-3-phenyl-propyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide Traditional Name: 2-methyl-N-[(1R)-1-methyl-3-phenyl-propyl]-5-nitro-benzenesulfonamide Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC(C)CCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N[C@H](C)CCC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O4S/c1-13-8-11-16(19(20)21)12-17(13)24(22,23)18-14(2)9-10-15-6-4-3-5-7-15/h3-8,11-12,14,18H,9-10H2,1-2H3/t14-/m1/s1