[(1R,2R)-2-[methyl(thiophen-2-ylsulfonyl)amino]-1-phenyl-propyl] pyridine-4-carboxylate

Systemtic Name: [(1R,2R)-2-[methyl(thiophen-2-ylsulfonyl)amino]-1-phenyl-propyl] pyridine-4-carboxylate Openeye Name: [(1R,2R)-2-[methyl(2-thienylsulfonyl)amino]-1-phenyl-propyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [(1R,2R)-2-[methyl(thiophen-2-ylsulfonyl)amino]-1-phenylpropyl] ester IUPAC Name: [(1R,2R)-2-[methyl(thiophen-2-ylsulfonyl)amino]-1-phenylpropyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [(1R,2R)-2-[methyl(2-thienylsulfonyl)amino]-1-phenyl-propyl] ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)OC(=O)C2=CC=NC=C2)N(C)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@H]([C@@H](C1=CC=CC=C1)OC(=O)C2=CC=NC=C2)N(C)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H20N2O4S2/c1-15(22(2)28(24,25)18-9-6-14-27-18)19(16-7-4-3-5-8-16)26-20(23)17-10-12-21-13-11-17/h3-15,19H,1-2H3/t15-,19+/m1/s1