2-[methyl-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]-N-propyl-ethanamide

Systemtic Name: 2-[methyl-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]-N-propyl-ethanamide Openeye Name: 2-[N-methyl-4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-anilino]-N-propyl-acetamide CAS Name: 2-[N-methyl-4-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroanilino]-N-propylacetamide IUPAC Name: 2-[N-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitroanilino]-N-propylacetamide Traditional Name: 2-[N-methyl-4-[(3R)-3-methylpiperidino]sulfonyl-2-nitro-anilino]-N-propyl-acetamide Formula: C18H28N4O5S MolecularWeight: 412.50372

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O5S/c1-4-9-19-18(23)13-20(3)16-8-7-15(11-17(16)22(24)25)28(26,27)21-10-5-6-14(2)12-21/h7-8,11,14H,4-6,9-10,12-13H2,1-3H3,(H,19,23)/t14-/m1/s1