methyl 2-[methanoyl-[(E)-1-(4-methylphenyl)sulfonylhept-2-en-2-yl]amino]benzoate

Systemtic Name: methyl 2-[methanoyl-[(E)-1-(4-methylphenyl)sulfonylhept-2-en-2-yl]amino]benzoate Openeye Name: methyl 2-[formyl-[(E)-1-(p-tolylsulfonylmethyl)hex-1-enyl]amino]benzoate CAS Name: 2-[formyl-[(E)-1-(4-methylphenyl)sulfonylhept-2-en-2-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[formyl-[(E)-1-(4-methylphenyl)sulfonylhept-2-en-2-yl]amino]benzoate Traditional Name: 2-[formyl-[(E)-1-(tosylmethyl)hex-1-enyl]amino]benzoic acid methyl ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=C(CS(=O)(=O)C1=CC=C(C=C1)C)N(C=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCC/C=C(\CS(=O)(=O)C1=CC=C(C=C1)C)/N(C=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C23H27NO5S/c1-4-5-6-9-19(16-30(27,28)20-14-12-18(2)13-15-20)24(17-25)22-11-8-7-10-21(22)23(26)29-3/h7-15,17H,4-6,16H2,1-3H3/b19-9+