[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S/c1-19(2)26(17-20-9-5-3-6-10-20)23(27)18-31-24(28)21-11-13-22(14-12-21)32(29,30)25-15-7-4-8-16-25/h3,5-6,9-14,19H,4,7-8,15-18H2,1-2H3