[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(2,6-diisopropylanilino)-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(2,6-diisopropylanilino)-2-keto-ethyl] ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C26H34N2O5S/c1-18(2)22-12-9-13-23(19(3)4)25(22)27-24(29)17-33-26(30)20-10-8-11-21(16-20)34(31,32)28-14-6-5-7-15-28/h8-13,16,18-19H,5-7,14-15,17H2,1-4H3,(H,27,29)