(3-morpholin-4-ylsulfonylphenyl)methyl (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: (3-morpholinosulfonylphenyl)methyl (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H19ClN2O7S MolecularWeight: 466.89206

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN2O7S/c21-18-6-4-15(13-19(18)23(25)26)5-7-20(24)30-14-16-2-1-3-17(12-16)31(27,28)22-8-10-29-11-9-22/h1-7,12-13H,8-11,14H2/b7-5+