methyl 3-[2-[cyclohexen-1-ylmethyl-(4-methylphenyl)sulfonyl-amino]phenyl]prop-2-ynoate

Systemtic Name: methyl 3-[2-[cyclohexen-1-ylmethyl-(4-methylphenyl)sulfonyl-amino]phenyl]prop-2-ynoate Openeye Name: methyl 3-[2-[cyclohexen-1-ylmethyl(p-tolylsulfonyl)amino]phenyl]prop-2-ynoate CAS Name: 3-[2-[1-cyclohexenylmethyl-(4-methylphenyl)sulfonylamino]phenyl]-2-propynoic acid methyl ester IUPAC Name: methyl 3-[2-[cyclohexen-1-ylmethyl-(4-methylphenyl)sulfonylamino]phenyl]prop-2-ynoate Traditional Name: 3-[2-[cyclohexen-1-ylmethyl(tosyl)amino]phenyl]propiolic acid methyl ester Formula: C24H25NO4S MolecularWeight: 423.5246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CCCCC2)C3=CC=CC=C3C#CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CCCCC2)C3=CC=CC=C3C#CC(=O)OC

InChI

InChI=1S/C24H25NO4S/c1-19-12-15-22(16-13-19)30(27,28)25(18-20-8-4-3-5-9-20)23-11-7-6-10-21(23)14-17-24(26)29-2/h6-8,10-13,15-16H,3-5,9,18H2,1-2H3