dimethyl 4-[2-(4-azanylbutoxy)-5-methylsulfonyl-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-[2-(4-azanylbutoxy)-5-methylsulfonyl-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-[2-(4-aminobutoxy)-5-methylsulfonyl-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[2-(4-aminobutoxy)-5-methylsulfonylphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[2-(4-aminobutoxy)-5-methylsulfonylphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[2-(4-aminobutoxy)-5-mesyl-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C22H30N2O7S MolecularWeight: 466.5478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C=CC(=C2)S(=O)(=O)C)OCCCCN)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C=CC(=C2)S(=O)(=O)C)OCCCCN)C(=O)OC

InChI

InChI=1S/C22H30N2O7S/c1-13-18(21(25)29-3)20(19(14(2)24-13)22(26)30-4)16-12-15(32(5,27)28)8-9-17(16)31-11-7-6-10-23/h8-9,12,20,24H,6-7,10-11,23H2,1-5H3