(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylisonipecotic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H31NO6S/c1-18-5-10-23-20(16-25(29)34-24(23)15-18)17-33-26(30)19-11-13-28(14-12-19)35(31,32)22-8-6-21(7-9-22)27(2,3)4/h5-10,15-16,19H,11-14,17H2,1-4H3