2-[4-[4-[3-(2-dimethylaminoethyloxy)phenyl]-3-methyl-phenyl]piperidin-1-yl]sulfonyl-2-methyl-propanoic acid

Systemtic Name: 2-[4-[4-[3-(2-dimethylaminoethyloxy)phenyl]-3-methyl-phenyl]piperidin-1-yl]sulfonyl-2-methyl-propanoic acid Openeye Name: 2-[[4-[4-[3-(2-dimethylaminoethyloxy)phenyl]-3-methyl-phenyl]-1-piperidyl]sulfonyl]-2-methyl-propanoic acid CAS Name: 2-[[4-[4-[3-(2-dimethylaminoethyloxy)phenyl]-3-methylphenyl]-1-piperidinyl]sulfonyl]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-[3-(2-dimethylaminoethyloxy)phenyl]-3-methylphenyl]piperidin-1-yl]sulfonyl-2-methylpropanoic acid Traditional Name: 2-[4-[4-[3-(2-dimethylaminoethyloxy)phenyl]-3-methyl-phenyl]piperidino]sulfonyl-2-methyl-propionic acid Formula: C26H36N2O5S MolecularWeight: 488.63944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C(C)(C)C(=O)O)C3=CC(=CC=C3)OCCN(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C(C)(C)C(=O)O)C3=CC(=CC=C3)OCCN(C)C

InChI

InChI=1S/C26H36N2O5S/c1-19-17-21(20-11-13-28(14-12-20)34(31,32)26(2,3)25(29)30)9-10-24(19)22-7-6-8-23(18-22)33-16-15-27(4)5/h6-10,17-18,20H,11-16H2,1-5H3,(H,29,30)