(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4-methoxy-3-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-methoxy-3-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-methoxy-3-(2-methylpiperidino)sulfonyl-benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N)OC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N)OC

InChI

InChI=1S/C22H26N2O6S/c1-15-8-6-7-13-24(15)31(27,28)19-14-17(11-12-18(19)29-2)22(26)30-20(21(23)25)16-9-4-3-5-10-16/h3-5,9-12,14-15,20H,6-8,13H2,1-2H3,(H2,23,25)