methyl 2-[[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]carbonyl-methyl-amino]benzoate

Systemtic Name: methyl 2-[[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]carbonyl-methyl-amino]benzoate Openeye Name: methyl 2-[[4-[[(3R,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoyl]-methyl-amino]benzoate CAS Name: 2-[[[4-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]-methylamino]benzoate Traditional Name: 2-[[4-[(3R,5S)-3,5-dimethylpiperidino]sulfonylbenzoyl]-methyl-amino]benzoic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)C3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)C3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C23H28N2O5S/c1-16-13-17(2)15-25(14-16)31(28,29)19-11-9-18(10-12-19)22(26)24(3)21-8-6-5-7-20(21)23(27)30-4/h5-12,16-17H,13-15H2,1-4H3/t16-,17+