methyl 2-[(E)-C-(4-bromophenyl)-N-(4-methylphenyl)sulfonyl-carbonimidoyl]prop-2-enoate

Systemtic Name: methyl 2-[(E)-C-(4-bromophenyl)-N-(4-methylphenyl)sulfonyl-carbonimidoyl]prop-2-enoate Openeye Name: methyl 2-[(E)-C-(4-bromophenyl)-N-(p-tolylsulfonyl)carbonimidoyl]prop-2-enoate CAS Name: 2-[(E)-(4-bromophenyl)-(4-methylphenyl)sulfonyliminomethyl]-2-propenoic acid methyl ester IUPAC Name: methyl 2-[(E)-C-(4-bromophenyl)-N-(4-methylphenyl)sulfonylcarbonimidoyl]prop-2-enoate Traditional Name: 2-[(E)-C-(4-bromophenyl)-N-tosyl-carbonimidoyl]acrylic acid methyl ester Formula: C18H16BrNO4S MolecularWeight: 422.29294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrNO4S/c1-12-4-10-16(11-5-12)25(22,23)20-17(13(2)18(21)24-3)14-6-8-15(19)9-7-14/h4-11H,2H2,1,3H3/b20-17-