N-[(1R,2R)-2-azanyl-1,2-bis(2-nitrophenyl)ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1R,2R)-2-azanyl-1,2-bis(2-nitrophenyl)ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1R,2R)-2-amino-1,2-bis(2-nitrophenyl)ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1R,2R)-2-amino-1,2-bis(2-nitrophenyl)ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1R,2R)-2-amino-1,2-bis(2-nitrophenyl)ethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1R,2R)-2-amino-1,2-bis(2-nitrophenyl)ethyl]-4-methyl-benzenesulfonamide Formula: C21H20N4O6S MolecularWeight: 456.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2[N+](=O)[O-])C(C3=CC=CC=C3[N+](=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C2=CC=CC=C2[N+](=O)[O-])[C@@H](C3=CC=CC=C3[N+](=O)[O-])N

InChI

InChI=1S/C21H20N4O6S/c1-14-10-12-15(13-11-14)32(30,31)23-21(17-7-3-5-9-19(17)25(28)29)20(22)16-6-2-4-8-18(16)24(26)27/h2-13,20-21,23H,22H2,1H3/t20-,21-/m1/s1