(1-azanyl-1-oxidanylidene-propan-2-yl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidino-3-piperidinosulfonyl-benzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5S/c1-15(19(21)24)28-20(25)16-8-9-17(22-10-4-2-5-11-22)18(14-16)29(26,27)23-12-6-3-7-13-23/h8-9,14-15H,2-7,10-13H2,1H3,(H2,21,24)