N-[(2S)-1-methoxypropan-2-yl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-aniline

Systemtic Name: N-[(2S)-1-methoxypropan-2-yl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-aniline Openeye Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-aniline CAS Name: N-[(2S)-1-methoxypropan-2-yl]-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroaniline IUPAC Name: N-[(2S)-1-methoxypropan-2-yl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroaniline Traditional Name: [(1S)-2-methoxy-1-methyl-ethyl]-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]amine Formula: C16H25N3O5S MolecularWeight: 371.4518

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC(C)COC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N[C@@H](C)COC)[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O5S/c1-12-5-4-8-18(10-12)25(22,23)14-6-7-15(16(9-14)19(20)21)17-13(2)11-24-3/h6-7,9,12-13,17H,4-5,8,10-11H2,1-3H3/t12-,13-/m0/s1