O3-methyl O5-[3-[[5-oxidanidyl-4-(phenylsulfonyl)-1,2,5-oxadiazol-5-ium-3-yl]oxy]propyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-[3-[[5-oxidanidyl-4-(phenylsulfonyl)-1,2,5-oxadiazol-5-ium-3-yl]oxy]propyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-[3-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]propyl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[3-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]propyl] ester O3-methyl ester IUPAC Name: 5-O-[3-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]propyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[3-(4-besyl-5-oxido-furazan-5-ium-3-yl)oxypropyl] ester O3-methyl ester Formula: C27H26N4O11S MolecularWeight: 614.58054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCCOC2=NO[N+](=C2S(=O)(=O)C3=CC=CC=C3)[O-])C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCCOC2=NO[N+](=C2S(=O)(=O)C3=CC=CC=C3)[O-])C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C27H26N4O11S/c1-16-21(26(32)39-3)23(18-9-7-10-19(15-18)30(34)35)22(17(2)28-16)27(33)41-14-8-13-40-24-25(31(36)42-29-24)43(37,38)20-11-5-4-6-12-20/h4-7,9-12,15,23,28H,8,13-14H2,1-3H3