(2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCCC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCCC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H30N2O6S/c1-28-18-10-9-17(21(25)29-16-20(24)22-11-5-4-6-12-22)15-19(18)30(26,27)23-13-7-2-3-8-14-23/h9-10,15H,2-8,11-14,16H2,1H3