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

Systemtic Name: dimethyl-[(1R)-2-[(4-methylsulfonyl-2-nitro-phenyl)amino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-(4-methylsulfonyl-2-nitro-anilino)-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-(4-methylsulfonyl-2-nitroanilino)-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-(4-methylsulfonyl-2-nitroanilino)-1-thiophen-2-ylethyl]azanium Traditional Name: [(1R)-2-(4-mesyl-2-nitro-anilino)-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C15H20N3O4S2+ MolecularWeight: 370.467

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])C2=CC=CS2

Isomeric SMILES

C[NH+](C)[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])C2=CC=CS2

InChI

InChI=1S/C15H19N3O4S2/c1-17(2)14(15-5-4-8-23-15)10-16-12-7-6-11(24(3,21)22)9-13(12)18(19)20/h4-9,14,16H,10H2,1-3H3/p+1/t14-/m1/s1