(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 4-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(2-methylpiperidino)sulfonylbenzoic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)NC(=O)C

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)NC(=O)C

InChI

InChI=1S/C25H26N2O7S/c1-16-5-3-4-12-27(16)35(31,32)21-9-6-18(7-10-21)25(30)33-15-19-13-24(29)34-23-14-20(26-17(2)28)8-11-22(19)23/h6-11,13-14,16H,3-5,12,15H2,1-2H3,(H,26,28)