ethyl 4-[3-[(5-chloranylpyridin-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[3-[(5-chloranylpyridin-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[3-[(5-chloro-2-pyridyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[3-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(5-chloropyridin-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[3-[(5-chloro-2-pyridyl)carbamoyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O5S/c1-2-29-20(26)14-5-8-17(9-6-14)30(27,28)24-11-3-4-15(13-24)19(25)23-18-10-7-16(21)12-22-18/h5-10,12,15H,2-4,11,13H2,1H3,(H,22,23,25)