methyl 2-[4-(benzamidocarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(benzamidocarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(benzamidocarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(benzoylhydrazo)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(benzamidocarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(benzamidocarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O6S/c1-30-21(27)17-9-5-6-10-18(17)31(28,29)24-13-11-16(12-14-24)20(26)23-22-19(25)15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3,(H,22,25)(H,23,26)