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

Systemtic Name: 2-[[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]carbonyl-methyl-amino]benzoic acid Openeye Name: 2-[[4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoyl]-methyl-amino]benzoic acid CAS Name: 2-[[[4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]-methylamino]benzoic acid IUPAC Name: 2-[[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]-methylamino]benzoic acid Traditional Name: 2-[[4-[(3S,5S)-3,5-dimethylpiperidino]sulfonylbenzoyl]-methyl-amino]benzoic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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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)O)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)O)C

InChI

InChI=1S/C22H26N2O5S/c1-15-12-16(2)14-24(13-15)30(28,29)18-10-8-17(9-11-18)21(25)23(3)20-7-5-4-6-19(20)22(26)27/h4-11,15-16H,12-14H2,1-3H3,(H,26,27)/t15-,16-/m0/s1