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

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C30H34N2O5S MolecularWeight: 534.66636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C30H34N2O5S/c1-24-15-16-27(21-28(24)38(35,36)32-18-9-4-10-19-32)30(34)37-23-29(33)31(22-26-13-7-3-8-14-26)20-17-25-11-5-2-6-12-25/h2-3,5-8,11-16,21H,4,9-10,17-20,22-23H2,1H3