[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzoic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidino-3-piperidinosulfonyl-benzoic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H33N3O5S MolecularWeight: 463.59022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H33N3O5S/c1-17(22(27)24-19-9-10-19)31-23(28)18-8-11-20(25-12-4-2-5-13-25)21(16-18)32(29,30)26-14-6-3-7-15-26/h8,11,16-17,19H,2-7,9-10,12-15H2,1H3,(H,24,27)