[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C25H32N2O5S/c1-19(2)27(17-21-10-6-4-7-11-21)24(28)18-32-25(29)22-13-12-20(3)23(16-22)33(30,31)26-14-8-5-9-15-26/h4,6-7,10-13,16,19H,5,8-9,14-15,17-18H2,1-3H3