ethyl 4-[4-[(2S)-2-phenylpyrrolidin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(2S)-2-phenylpyrrolidin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[oxo-[(2S)-2-phenyl-1-pyrrolidinyl]methyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2S)-2-phenylpyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(2S)-2-phenylpyrrolidine-1-carbonyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC[C@H]3C4=CC=CC=C4

InChI

InChI=1S/C25H30N2O5S/c1-2-32-25(29)21-10-12-22(13-11-21)33(30,31)26-17-14-20(15-18-26)24(28)27-16-6-9-23(27)19-7-4-3-5-8-19/h3-5,7-8,10-13,20,23H,2,6,9,14-18H2,1H3/t23-/m0/s1