6-nitrooxyhexyl (Z)-4-(2-azanylethanoyloxy)-3-(4-methylsulfonylphenyl)-2-phenyl-but-2-enoate

Systemtic Name: 6-nitrooxyhexyl (Z)-4-(2-azanylethanoyloxy)-3-(4-methylsulfonylphenyl)-2-phenyl-but-2-enoate Openeye Name: 6-nitrooxyhexyl (Z)-4-(2-aminoacetyl)oxy-3-(4-methylsulfonylphenyl)-2-phenyl-but-2-enoate CAS Name: (Z)-4-(2-amino-1-oxoethoxy)-3-(4-methylsulfonylphenyl)-2-phenyl-2-butenoic acid 6-nitrooxyhexyl ester IUPAC Name: 6-nitrooxyhexyl (Z)-4-(2-aminoacetyl)oxy-3-(4-methylsulfonylphenyl)-2-phenylbut-2-enoate Traditional Name: (Z)-4-glycyloxy-3-(4-mesylphenyl)-2-phenyl-but-2-enoic acid 6-nitrooxyhexyl ester Formula: C25H30N2O9S MolecularWeight: 534.5787

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C(=O)OCCCCCCO[N+](=O)[O-])COC(=O)CN

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/C(=O)OCCCCCCO[N+](=O)[O-])/COC(=O)CN

InChI

InChI=1S/C25H30N2O9S/c1-37(32,33)21-13-11-19(12-14-21)22(18-35-23(28)17-26)24(20-9-5-4-6-10-20)25(29)34-15-7-2-3-8-16-36-27(30)31/h4-6,9-14H,2-3,7-8,15-18,26H2,1H3/b24-22+