methyl 4-[[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]butanoate

Systemtic Name: methyl 4-[[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]butanoate Openeye Name: methyl 4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-anilino]butanoate CAS Name: 4-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitroanilino]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitroanilino]butanoate Traditional Name: 4-[4-(4-methylpiperidino)sulfonyl-2-nitro-anilino]butyric acid methyl ester Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O6S/c1-13-7-10-19(11-8-13)27(24,25)14-5-6-15(16(12-14)20(22)23)18-9-3-4-17(21)26-2/h5-6,12-13,18H,3-4,7-11H2,1-2H3