methyl 2-[4-[(3-chloranyl-2,6-diethyl-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(3-chloranyl-2,6-diethyl-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(3-chloro-2,6-diethyl-phenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(3-chloro-2,6-diethylanilino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3-chloro-2,6-diethylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(3-chloro-2,6-diethyl-phenyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C24H29ClN2O5S MolecularWeight: 493.01546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H29ClN2O5S/c1-4-16-10-11-20(25)18(5-2)22(16)26-23(28)17-12-14-27(15-13-17)33(30,31)21-9-7-6-8-19(21)24(29)32-3/h6-11,17H,4-5,12-15H2,1-3H3,(H,26,28)