4-[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=C(C=C2)OC)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NC[C@H](C2=CC=C(C=C2)OC)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O5S/c1-19-28(25,26)15-9-10-16(17(11-15)22(23)24)20-12-18(21(2)3)13-5-7-14(27-4)8-6-13/h5-11,18-20H,12H2,1-4H3/t18-/m1/s1