ethyl 2-[[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]methyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]methyl]furan-3-carboxylate Openeye Name: ethyl 2-[[2-isopropoxy-5-(1-piperidylsulfonyl)anilino]methyl]furan-3-carboxylate CAS Name: 2-[[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyanilino]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyanilino)methyl]furan-3-carboxylate Traditional Name: 2-[(2-isopropoxy-5-piperidinosulfonyl-anilino)methyl]furan-3-carboxylic acid ethyl ester Formula: C22H30N2O6S MolecularWeight: 450.5484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC(C)C

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC(C)C

InChI

InChI=1S/C22H30N2O6S/c1-4-28-22(25)18-10-13-29-21(18)15-23-19-14-17(8-9-20(19)30-16(2)3)31(26,27)24-11-6-5-7-12-24/h8-10,13-14,16,23H,4-7,11-12,15H2,1-3H3