[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 4-chloro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C20H23ClN2O5S2 MolecularWeight: 470.99002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3=CC=CS3)Cl

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3=CC=CS3)Cl

InChI

InChI=1S/C20H23ClN2O5S2/c1-14-4-2-8-23(12-14)30(26,27)18-10-15(6-7-17(18)21)20(25)28-13-19(24)22-11-16-5-3-9-29-16/h3,5-7,9-10,14H,2,4,8,11-13H2,1H3,(H,22,24)/t14-/m0/s1