4-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(C)NC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)[C@H](C)NC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5S/c1-11-5-8-17(25-4)14(9-11)12(2)19-15-7-6-13(26(23,24)18-3)10-16(15)20(21)22/h5-10,12,18-19H,1-4H3/t12-/m0/s1