(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C25H26N2O7S MolecularWeight: 498.54814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H26N2O7S/c1-17(28)26-20-7-10-22-19(14-25(30)34-23(22)15-20)16-33-24(29)13-18-5-8-21(9-6-18)35(31,32)27-11-3-2-4-12-27/h5-10,14-15H,2-4,11-13,16H2,1H3,(H,26,28)