[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C25H25ClN2O8S MolecularWeight: 548.9926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN2O8S/c1-2-34-25(31)27-17-6-8-19-16(12-23(29)36-22(19)13-17)15-35-24(30)20-14-18(7-9-21(20)26)37(32,33)28-10-4-3-5-11-28/h6-9,12-14H,2-5,10-11,15H2,1H3,(H,27,31)