5-(2-azanylethoxymethoxycarbonyl)-4-(2-chlorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid; benzenesulfonic acid

Systemtic Name: 5-(2-azanylethoxymethoxycarbonyl)-4-(2-chlorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid; benzenesulfonic acid Openeye Name: 5-(2-aminoethoxymethoxycarbonyl)-4-(2-chlorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid; benzenesulfonic acid CAS Name: 5-[2-aminoethoxymethoxy(oxo)methyl]-4-(2-chlorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid; benzenesulfonic acid IUPAC Name: 5-(2-aminoethoxymethoxycarbonyl)-4-(2-chlorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid; benzenesulfonic acid Traditional Name: 5-(2-aminoethoxymethoxycarbonyl)-4-(2-chlorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid; besylic acid Formula: C23H25ClN2O8S MolecularWeight: 524.9712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=CN1)C(=O)OCOCCN)C2=CC=CC=C2Cl)C(=O)O.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(C(=CN1)C(=O)OCOCCN)C2=CC=CC=C2Cl)C(=O)O.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C17H19ClN2O5.C6H6O3S/c1-10-14(16(21)22)15(11-4-2-3-5-13(11)18)12(8-20-10)17(23)25-9-24-7-6-19;7-10(8,9)6-4-2-1-3-5-6/h2-5,8,15,20H,6-7,9,19H2,1H3,(H,21,22);1-5H,(H,7,8,9)