6-azanyl-2-ethyl-4-(2-nitrophenyl)-5-(phenylsulfonyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 6-azanyl-2-ethyl-4-(2-nitrophenyl)-5-(phenylsulfonyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-amino-5-(benzenesulfonyl)-2-ethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 6-amino-5-(benzenesulfonyl)-2-ethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-amino-5-(benzenesulfonyl)-2-ethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 6-amino-5-besyl-2-ethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(N1)N)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1=C(C(C(=C(N1)N)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H19N3O6S/c1-2-14-17(20(24)25)16(13-10-6-7-11-15(13)23(26)27)18(19(21)22-14)30(28,29)12-8-4-3-5-9-12/h3-11,16,22H,2,21H2,1H3,(H,24,25)