methyl (2E,4E)-6-[(4-methylphenyl)sulfonyl-prop-2-ynyl-amino]-3-phenyl-hexa-2,4-dienoate

Systemtic Name: methyl (2E,4E)-6-[(4-methylphenyl)sulfonyl-prop-2-ynyl-amino]-3-phenyl-hexa-2,4-dienoate Openeye Name: methyl (2E,4E)-3-phenyl-6-[prop-2-ynyl(p-tolylsulfonyl)amino]hexa-2,4-dienoate CAS Name: (2E,4E)-6-[(4-methylphenyl)sulfonyl-prop-2-ynylamino]-3-phenylhexa-2,4-dienoic acid methyl ester IUPAC Name: methyl (2E,4E)-6-[(4-methylphenyl)sulfonyl-prop-2-ynylamino]-3-phenylhexa-2,4-dienoate Traditional Name: (2E,4E)-3-phenyl-6-[propargyl(tosyl)amino]hexa-2,4-dienoic acid methyl ester Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC=CC(=CC(=O)OC)C2=CC=CC=C2)CC#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C/C=C/C(=C\C(=O)OC)/C2=CC=CC=C2)CC#C

InChI

InChI=1S/C23H23NO4S/c1-4-16-24(29(26,27)22-14-12-19(2)13-15-22)17-8-11-21(18-23(25)28-3)20-9-6-5-7-10-20/h1,5-15,18H,16-17H2,2-3H3/b11-8+,21-18+