methyl 4-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carbonyl]amino]butanoate CAS Name: 4-[[[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbonyl]amino]butanoate Traditional Name: 4-[[1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotoyl]amino]butyric acid methyl ester Formula: C18H25N3O7S MolecularWeight: 427.472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCCC(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCCC(=O)OC

InChI

InChI=1S/C18H25N3O7S/c1-13-5-6-15(21(24)25)12-16(13)29(26,27)20-10-7-14(8-11-20)18(23)19-9-3-4-17(22)28-2/h5-6,12,14H,3-4,7-11H2,1-2H3,(H,19,23)