(3S)-1-[4-[4-(4-methoxyphenoxy)butanoylamino]phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-[4-[4-(4-methoxyphenoxy)butanoylamino]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: (3S)-1-[4-[4-(4-methoxyphenoxy)butanoylamino]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-[4-[[4-(4-methoxyphenoxy)-1-oxobutyl]amino]phenyl]sulfonyl-3-piperidinecarboxylate IUPAC Name: (3S)-1-[4-[4-(4-methoxyphenoxy)butanoylamino]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-[4-[4-(4-methoxyphenoxy)butanoylamino]phenyl]sulfonylnipecotate Formula: C23H27N2O7S- MolecularWeight: 475.53468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC[C@@H](C3)C(=O)[O-]

InChI

InChI=1S/C23H28N2O7S/c1-31-19-8-10-20(11-9-19)32-15-3-5-22(26)24-18-6-12-21(13-7-18)33(29,30)25-14-2-4-17(16-25)23(27)28/h6-13,17H,2-5,14-16H2,1H3,(H,24,26)(H,27,28)/p-1/t17-/m0/s1