[2-[(Z)-2-azido-3-phenyl-prop-2-enoyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(Z)-2-azido-3-phenyl-prop-2-enoyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(Z)-2-azido-3-phenyl-prop-2-enoyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(Z)-2-azido-1-oxo-3-phenylprop-2-enyl]phenyl] ester IUPAC Name: [2-[(Z)-2-azido-3-phenylprop-2-enoyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(Z)-2-azido-3-phenyl-acryloyl]phenyl] ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)C(=CC3=CC=CC=C3)N=[N+]=[N-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)/C(=C/C3=CC=CC=C3)/N=[N+]=[N-]

InChI

InChI=1S/C22H17N3O4S/c1-16-11-13-18(14-12-16)30(27,28)29-21-10-6-5-9-19(21)22(26)20(24-25-23)15-17-7-3-2-4-8-17/h2-15H,1H3/b20-15-