methyl 2-[4-[(5-aminocarbonyl-2-chloranyl-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(5-aminocarbonyl-2-chloranyl-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(5-carbamoyl-2-chloro-phenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(5-carbamoyl-2-chloroanilino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(5-carbamoyl-2-chlorophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(5-carbamoyl-2-chloro-phenyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C21H22ClN3O6S MolecularWeight: 479.93388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)N)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)N)Cl

InChI

InChI=1S/C21H22ClN3O6S/c1-31-21(28)15-4-2-3-5-18(15)32(29,30)25-10-8-13(9-11-25)20(27)24-17-12-14(19(23)26)6-7-16(17)22/h2-7,12-13H,8-11H2,1H3,(H2,23,26)(H,24,27)