N-[(2S)-1-methoxypropan-2-yl]-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-[(2S)-1-methoxypropan-2-yl]-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-3-nitro-4-[[(1R)-1-(o-tolyl)ethyl]amino]benzenesulfonamide CAS Name: N-[(2S)-1-methoxypropan-2-yl]-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-1-methoxypropan-2-yl]-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-3-nitro-4-[[(1R)-1-(o-tolyl)ethyl]amino]benzenesulfonamide Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC2=C(C=C(C=C2)S(=O)(=O)NC(C)COC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5S/c1-13-7-5-6-8-17(13)15(3)20-18-10-9-16(11-19(18)22(23)24)28(25,26)21-14(2)12-27-4/h5-11,14-15,20-21H,12H2,1-4H3/t14-,15+/m0/s1