methyl 3-[4-[(phenylmethyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-[(phenylmethyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[[4-(benzylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[4-[oxo-[(phenylmethyl)amino]methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(benzylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(benzylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c1-28-21(25)18-8-5-9-19(14-18)29(26,27)23-12-10-17(11-13-23)20(24)22-15-16-6-3-2-4-7-16/h2-9,14,17H,10-13,15H2,1H3,(H,22,24)