[(3R,6R)-1-(2-nitrophenyl)sulfonyl-6-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl]methyl 4-nitrobenzoate

Systemtic Name: [(3R,6R)-1-(2-nitrophenyl)sulfonyl-6-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl]methyl 4-nitrobenzoate Openeye Name: [(3R,6R)-6-allyl-1-(2-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3R,6R)-1-(2-nitrophenyl)sulfonyl-6-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl]methyl ester IUPAC Name: [(3R,6R)-1-(2-nitrophenyl)sulfonyl-6-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3R,6R)-6-allyl-1-(2-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methyl ester Formula: C22H21N3O8S MolecularWeight: 487.48244

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1C=CC(CN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CC[C@@H]1C=C[C@H](CN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O8S/c1-2-5-18-11-8-16(15-33-22(26)17-9-12-19(13-10-17)24(27)28)14-23(18)34(31,32)21-7-4-3-6-20(21)25(29)30/h2-4,6-13,16,18H,1,5,14-15H2/t16-,18-/m1/s1