methyl 4-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]butanoate

Systemtic Name: methyl 4-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]butanoate Openeye Name: methyl 4-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-anilino]butanoate CAS Name: 4-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroanilino]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroanilino]butanoate Traditional Name: 4-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-anilino]butyric acid methyl ester Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O6S/c1-13-5-4-10-19(12-13)27(24,25)14-7-8-15(16(11-14)20(22)23)18-9-3-6-17(21)26-2/h7-8,11,13,18H,3-6,9-10,12H2,1-2H3/t13-/m0/s1