ethyl 3-[[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-[[(2R,6R)-2,6-dimethyl-1-piperidyl]sulfonyl]phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-[[(2R,6R)-2,6-dimethyl-1-piperidinyl]sulfonyl]anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-[(2R,6R)-2,6-dimethylpiperidino]sulfonylphenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3C(CCCC3C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3[C@@H](CCC[C@H]3C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O7S/c1-4-33-23(28)18-12-17(13-20(14-18)26(29)30)22(27)24-19-8-10-21(11-9-19)34(31,32)25-15(2)6-5-7-16(25)3/h8-16H,4-7H2,1-3H3,(H,24,27)/t15-,16-/m1/s1