dimethyl-[(2R)-1-[(4-methylsulfonyl-2-nitro-phenyl)amino]-3-phenyl-propan-2-yl]azanium

Systemtic Name: dimethyl-[(2R)-1-[(4-methylsulfonyl-2-nitro-phenyl)amino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1R)-1-benzyl-2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2R)-1-(4-methylsulfonyl-2-nitroanilino)-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2R)-1-(4-methylsulfonyl-2-nitroanilino)-3-phenylpropan-2-yl]azanium Traditional Name: [(1R)-1-benzyl-2-(4-mesyl-2-nitro-anilino)ethyl]-dimethyl-ammonium Formula: C18H24N3O4S+ MolecularWeight: 378.46586

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)[C@H](CC1=CC=CC=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O4S/c1-20(2)15(11-14-7-5-4-6-8-14)13-19-17-10-9-16(26(3,24)25)12-18(17)21(22)23/h4-10,12,15,19H,11,13H2,1-3H3/p+1/t15-/m1/s1