[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H35N3O5S/c1-18(2)16-24-22(27)17-31-23(28)19-9-10-20(25-11-5-3-6-12-25)21(15-19)32(29,30)26-13-7-4-8-14-26/h9-10,15,18H,3-8,11-14,16-17H2,1-2H3,(H,24,27)