methyl 4-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]butanoate

Systemtic Name: methyl 4-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]butanoate Openeye Name: methyl 4-[2-nitro-4-(1-piperidylsulfonyl)anilino]butanoate CAS Name: 4-[2-nitro-4-(1-piperidinylsulfonyl)anilino]butanoic acid methyl ester IUPAC Name: methyl 4-(2-nitro-4-piperidin-1-ylsulfonylanilino)butanoate Traditional Name: 4-(2-nitro-4-piperidinosulfonyl-anilino)butyric acid methyl ester Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O6S/c1-25-16(20)6-5-9-17-14-8-7-13(12-15(14)19(21)22)26(23,24)18-10-3-2-4-11-18/h7-8,12,17H,2-6,9-11H2,1H3