3-oxidanylidenebutan-2-yl 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (1-methyl-2-oxo-propyl) 4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidino-3-piperidinosulfonyl-benzoic acid (2-keto-1-methyl-propyl) ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H30N2O5S/c1-16(24)17(2)28-21(25)18-9-10-19(22-11-5-3-6-12-22)20(15-18)29(26,27)23-13-7-4-8-14-23/h9-10,15,17H,3-8,11-14H2,1-2H3