2-[[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-methyl-amino]-N-propyl-ethanamide

Systemtic Name: 2-[[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-methyl-2-nitro-anilino]-N-propyl-acetamide CAS Name: 2-[4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-methyl-2-nitroanilino]-N-propylacetamide IUPAC Name: 2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methyl-2-nitroanilino]-N-propylacetamide Traditional Name: 2-[4-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-N-methyl-2-nitro-anilino]-N-propyl-acetamide Formula: C19H30N4O5S MolecularWeight: 426.5303

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CC(CC(C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2C[C@H](C[C@@H](C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O5S/c1-5-8-20-19(24)13-21(4)17-7-6-16(10-18(17)23(25)26)29(27,28)22-11-14(2)9-15(3)12-22/h6-7,10,14-15H,5,8-9,11-13H2,1-4H3,(H,20,24)/t14-,15-/m0/s1