(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C27H31NO6S MolecularWeight: 497.60314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C

InChI

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