methyl 2-[4-[4-[3-(2-azanylethoxy)phenyl]-3-methyl-phenyl]piperidin-1-yl]sulfonyl-2-methyl-propanoate

Systemtic Name: methyl 2-[4-[4-[3-(2-azanylethoxy)phenyl]-3-methyl-phenyl]piperidin-1-yl]sulfonyl-2-methyl-propanoate Openeye Name: methyl 2-[[4-[4-[3-(2-aminoethoxy)phenyl]-3-methyl-phenyl]-1-piperidyl]sulfonyl]-2-methyl-propanoate CAS Name: 2-[[4-[4-[3-(2-aminoethoxy)phenyl]-3-methylphenyl]-1-piperidinyl]sulfonyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[4-[4-[3-(2-aminoethoxy)phenyl]-3-methylphenyl]piperidin-1-yl]sulfonyl-2-methylpropanoate Traditional Name: 2-[4-[4-[3-(2-aminoethoxy)phenyl]-3-methyl-phenyl]piperidino]sulfonyl-2-methyl-propionic acid methyl ester Formula: C25H34N2O5S MolecularWeight: 474.61286

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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)OC)C3=CC(=CC=C3)OCCN

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O5S/c1-18-16-20(8-9-23(18)21-6-5-7-22(17-21)32-15-12-26)19-10-13-27(14-11-19)33(29,30)25(2,3)24(28)31-4/h5-9,16-17,19H,10-15,26H2,1-4H3