methyl 1-[4-[2-(3-methylphenoxy)ethanoylamino]phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: methyl 1-[4-[2-(3-methylphenoxy)ethanoylamino]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: methyl 1-[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[4-[[2-(3-methylphenoxy)-1-oxoethyl]amino]phenyl]sulfonyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]sulfonylnipecotic acid methyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)OC

InChI

InChI=1S/C22H26N2O6S/c1-16-5-3-7-19(13-16)30-15-21(25)23-18-8-10-20(11-9-18)31(27,28)24-12-4-6-17(14-24)22(26)29-2/h3,5,7-11,13,17H,4,6,12,14-15H2,1-2H3,(H,23,25)