2-(pyridin-4-ylcarbonylamino)ethyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 2-(pyridin-4-ylcarbonylamino)ethyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 2-(pyridine-4-carbonylamino)ethyl 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid 2-[[oxo(pyridin-4-yl)methyl]amino]ethyl ester IUPAC Name: 2-(pyridine-4-carbonylamino)ethyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid 2-isonicotinamidoethyl ester Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCNC(=O)C3=CC=NC=C3)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCNC(=O)C3=CC=NC=C3)Cl

InChI

InChI=1S/C20H22ClN3O5S/c21-17-5-4-16(14-18(17)30(27,28)24-11-2-1-3-12-24)20(26)29-13-10-23-19(25)15-6-8-22-9-7-15/h4-9,14H,1-3,10-13H2,(H,23,25)