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

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzoic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidino-3-piperidinosulfonyl-benzoic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C23H35N3O5S MolecularWeight: 465.6061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O5S/c1-3-12-24-22(27)18(2)31-23(28)19-10-11-20(25-13-6-4-7-14-25)21(17-19)32(29,30)26-15-8-5-9-16-26/h10-11,17-18H,3-9,12-16H2,1-2H3,(H,24,27)