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

Systemtic Name: methyl 2-[4-[[1-(phenylmethyl)piperidin-4-yl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(1-benzyl-4-piperidyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[oxo-[[1-(phenylmethyl)-4-piperidinyl]amino]methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(1-benzylpiperidin-4-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(1-benzyl-4-piperidyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O5S/c1-34-26(31)23-9-5-6-10-24(23)35(32,33)29-17-11-21(12-18-29)25(30)27-22-13-15-28(16-14-22)19-20-7-3-2-4-8-20/h2-10,21-22H,11-19H2,1H3,(H,27,30)