6-ethyl-4-(2-methoxyphenyl)-5-(phenylmethyl)sulfonyl-2-(propanoyloxymethyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 6-ethyl-4-(2-methoxyphenyl)-5-(phenylmethyl)sulfonyl-2-(propanoyloxymethyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-benzylsulfonyl-6-ethyl-4-(2-methoxyphenyl)-2-(propanoyloxymethyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 6-ethyl-4-(2-methoxyphenyl)-2-(1-oxopropoxymethyl)-5-(phenylmethyl)sulfonyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-benzylsulfonyl-6-ethyl-4-(2-methoxyphenyl)-2-(propanoyloxymethyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-benzylsulfonyl-6-ethyl-4-(2-methoxyphenyl)-2-(propionyloxymethyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C26H29NO7S MolecularWeight: 499.57596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(N1)COC(=O)CC)C(=O)O)C2=CC=CC=C2OC)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(C(=C(N1)COC(=O)CC)C(=O)O)C2=CC=CC=C2OC)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C26H29NO7S/c1-4-19-25(35(31,32)16-17-11-7-6-8-12-17)23(18-13-9-10-14-21(18)33-3)24(26(29)30)20(27-19)15-34-22(28)5-2/h6-14,23,27H,4-5,15-16H2,1-3H3,(H,29,30)