benzenesulfonic acid; methyl 6-(2-azanylethoxymethyl)-5-butanoyl-4-(2-chlorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: benzenesulfonic acid; methyl 6-(2-azanylethoxymethyl)-5-butanoyl-4-(2-chlorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: benzenesulfonic acid; methyl 6-(2-aminoethoxymethyl)-5-butanoyl-4-(2-chlorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-2-methyl-5-(1-oxobutyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester; benzenesulfonic acid IUPAC Name: benzenesulfonic acid; methyl 6-(2-aminoethoxymethyl)-5-butanoyl-4-(2-chlorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-(2-aminoethoxymethyl)-5-butyryl-4-(2-chlorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid methyl ester; besylic acid Formula: C27H33ClN2O7S MolecularWeight: 565.07812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C21H27ClN2O4.C6H6O3S/c1-4-7-17(25)20-16(12-28-11-10-23)24-13(2)18(21(26)27-3)19(20)14-8-5-6-9-15(14)22;7-10(8,9)6-4-2-1-3-5-6/h5-6,8-9,19,24H,4,7,10-12,23H2,1-3H3;1-5H,(H,7,8,9)