methyl (E,2S,5S)-5-[(2-nitrophenyl)sulfonylamino]-2-phenethyl-hex-3-enoate

Systemtic Name: methyl (E,2S,5S)-5-[(2-nitrophenyl)sulfonylamino]-2-phenethyl-hex-3-enoate Openeye Name: methyl (E,2S,5S)-5-[(2-nitrophenyl)sulfonylamino]-2-phenethyl-hex-3-enoate CAS Name: (E,2S,5S)-5-[(2-nitrophenyl)sulfonylamino]-2-phenethyl-3-hexenoic acid methyl ester IUPAC Name: methyl (E,2S,5S)-5-[(2-nitrophenyl)sulfonylamino]-2-phenethylhex-3-enoate Traditional Name: (E,2S,5S)-5-[(2-nitrophenyl)sulfonylamino]-2-phenethyl-hex-3-enoic acid methyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC(CCC1=CC=CC=C1)C(=O)OC)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[C@@H](/C=C/[C@H](CCC1=CC=CC=C1)C(=O)OC)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6S/c1-16(22-30(27,28)20-11-7-6-10-19(20)23(25)26)12-14-18(21(24)29-2)15-13-17-8-4-3-5-9-17/h3-12,14,16,18,22H,13,15H2,1-2H3/b14-12+/t16-,18+/m0/s1