ethyl (2E,6E,8E)-10-[(4-methylphenyl)sulfonyl-prop-2-ynyl-amino]deca-2,6,8-trienoate

Systemtic Name: ethyl (2E,6E,8E)-10-[(4-methylphenyl)sulfonyl-prop-2-ynyl-amino]deca-2,6,8-trienoate Openeye Name: ethyl (2E,6E,8E)-10-[prop-2-ynyl(p-tolylsulfonyl)amino]deca-2,6,8-trienoate CAS Name: (2E,6E,8E)-10-[(4-methylphenyl)sulfonyl-prop-2-ynylamino]deca-2,6,8-trienoic acid ethyl ester IUPAC Name: ethyl (2E,6E,8E)-10-[(4-methylphenyl)sulfonyl-prop-2-ynylamino]deca-2,6,8-trienoate Traditional Name: (2E,6E,8E)-10-[propargyl(tosyl)amino]deca-2,6,8-trienoic acid ethyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCCC=CC=CCN(CC#C)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)/C=C/CC/C=C/C=C/CN(CC#C)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C22H27NO4S/c1-4-18-23(28(25,26)21-16-14-20(3)15-17-21)19-12-10-8-6-7-9-11-13-22(24)27-5-2/h1,6,8,10-17H,5,7,9,18-19H2,2-3H3/b8-6+,12-10+,13-11+