methyl 2-[[[(E)-4-bromanylbut-2-enyl]-(4-methylphenyl)sulfonyl-amino]-phenyl-methyl]prop-2-enoate

Systemtic Name: methyl 2-[[[(E)-4-bromanylbut-2-enyl]-(4-methylphenyl)sulfonyl-amino]-phenyl-methyl]prop-2-enoate Openeye Name: methyl 2-[[[(E)-4-bromobut-2-enyl]-(p-tolylsulfonyl)amino]-phenyl-methyl]prop-2-enoate CAS Name: 2-[[[(E)-4-bromobut-2-enyl]-(4-methylphenyl)sulfonylamino]-phenylmethyl]-2-propenoic acid methyl ester IUPAC Name: methyl 2-[[[(E)-4-bromobut-2-enyl]-(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate Traditional Name: 2-[[[(E)-4-bromobut-2-enyl]-tosyl-amino]-phenyl-methyl]acrylic acid methyl ester Formula: C22H24BrNO4S MolecularWeight: 478.39926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrNO4S/c1-17-11-13-20(14-12-17)29(26,27)24(16-8-7-15-23)21(18(2)22(25)28-3)19-9-5-4-6-10-19/h4-14,21H,2,15-16H2,1,3H3/b8-7+