ethyl 6-[[(2S)-1-(4-methylphenyl)sulfonyloxy-3-phenyl-propan-2-yl]carbamoyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[[(2S)-1-(4-methylphenyl)sulfonyloxy-3-phenyl-propan-2-yl]carbamoyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[(1S)-1-benzyl-2-(p-tolylsulfonyloxy)ethyl]carbamoyl]pyridine-3-carboxylate CAS Name: 6-[[[(2S)-1-(4-methylphenyl)sulfonyloxy-3-phenylpropan-2-yl]amino]-oxomethyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[(2S)-1-(4-methylphenyl)sulfonyloxy-3-phenylpropan-2-yl]carbamoyl]pyridine-3-carboxylate Traditional Name: 6-[[(1S)-1-benzyl-2-tosyloxy-ethyl]carbamoyl]nicotinic acid ethyl ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C(=O)NC(CC2=CC=CC=C2)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C(=O)N[C@@H](CC2=CC=CC=C2)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H26N2O6S/c1-3-32-25(29)20-11-14-23(26-16-20)24(28)27-21(15-19-7-5-4-6-8-19)17-33-34(30,31)22-12-9-18(2)10-13-22/h4-14,16,21H,3,15,17H2,1-2H3,(H,27,28)/t21-/m0/s1