[(1R,4R)-4-[(2-nitrophenyl)sulfonyl-prop-2-enyl-amino]cyclohept-2-en-1-yl] ethanoate

Systemtic Name: [(1R,4R)-4-[(2-nitrophenyl)sulfonyl-prop-2-enyl-amino]cyclohept-2-en-1-yl] ethanoate Openeye Name: [(1R,4R)-4-[allyl-(2-nitrophenyl)sulfonyl-amino]cyclohept-2-en-1-yl] acetate CAS Name: acetic acid [(1R,4R)-4-[(2-nitrophenyl)sulfonyl-prop-2-enylamino]-1-cyclohept-2-enyl] ester IUPAC Name: [(1R,4R)-4-[(2-nitrophenyl)sulfonyl-prop-2-enylamino]cyclohept-2-en-1-yl] acetate Traditional Name: acetic acid [(1R,4R)-4-[allyl-(2-nitrophenyl)sulfonyl-amino]cyclohept-2-en-1-yl] ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCC(C=C1)N(CC=C)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(=O)O[C@@H]1CCC[C@H](C=C1)N(CC=C)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O6S/c1-3-13-19(15-7-6-8-16(12-11-15)26-14(2)21)27(24,25)18-10-5-4-9-17(18)20(22)23/h3-5,9-12,15-16H,1,6-8,13H2,2H3/t15-,16-/m1/s1