[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H28N2O5S/c1-18(23(27)24-17-20-8-4-2-5-9-20)30-22(26)16-19-10-12-21(13-11-19)31(28,29)25-14-6-3-7-15-25/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H,24,27)