[(1S,4S,6S)-4-[(2-nitrophenyl)sulfonyl-prop-2-enyl-amino]-6-prop-2-enoxy-cyclohept-2-en-1-yl] ethanoate

Systemtic Name: [(1S,4S,6S)-4-[(2-nitrophenyl)sulfonyl-prop-2-enyl-amino]-6-prop-2-enoxy-cyclohept-2-en-1-yl] ethanoate Openeye Name: [(1S,4S,6S)-4-[allyl-(2-nitrophenyl)sulfonyl-amino]-6-allyloxy-cyclohept-2-en-1-yl] acetate CAS Name: acetic acid [(1S,4S,6S)-4-[(2-nitrophenyl)sulfonyl-prop-2-enylamino]-6-prop-2-enoxy-1-cyclohept-2-enyl] ester IUPAC Name: [(1S,4S,6S)-4-[(2-nitrophenyl)sulfonyl-prop-2-enylamino]-6-prop-2-enoxycyclohept-2-en-1-yl] acetate Traditional Name: acetic acid [(1S,4S,6S)-4-[allyl-(2-nitrophenyl)sulfonyl-amino]-6-allyloxy-cyclohept-2-en-1-yl] ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(CC(C=C1)N(CC=C)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O7S/c1-4-12-22(31(27,28)21-9-7-6-8-20(21)23(25)26)17-10-11-18(30-16(3)24)15-19(14-17)29-13-5-2/h4-11,17-19H,1-2,12-15H2,3H3/t17-,18-,19+/m1/s1