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ethyl 7-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]hept-6-ynoate

ethyl 7-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]hept-6-ynoate

Systemtic Name:ethyl 7-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]hept-6-ynoate
Openeye Name:ethyl 7-[benzyl(p-tolylsulfonyl)amino]hept-6-ynoate
CAS Name:7-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-6-heptynoic acid ethyl ester
IUPAC Name:ethyl 7-[benzyl-(4-methylphenyl)sulfonylamino]hept-6-ynoate
Traditional Name:7-[benzyl(tosyl)amino]hept-6-ynoic acid ethyl ester
Formula: C23H27NO4S
MolecularWeight: 413.52978
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC#CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C


Isomeric SMILES

CCOC(=O)CCCCC#CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C


InChI

InChI=1S/C23H27NO4S/c1-3-28-23(25)13-9-4-5-10-18-24(19-21-11-7-6-8-12-21)29(26,27)22-16-14-20(2)15-17-22/h6-8,11-12,14-17H,3-5,9,13,19H2,1-2H3


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