2-[(E)-2-(4-acetamido-2-methyl-phenyl)ethenyl]-5-(methylamino)benzenesulfonic acid

Systemtic Name: 2-[(E)-2-(4-acetamido-2-methyl-phenyl)ethenyl]-5-(methylamino)benzenesulfonic acid Openeye Name: 2-[(E)-2-(4-acetamido-2-methyl-phenyl)vinyl]-5-(methylamino)benzenesulfonic acid CAS Name: 2-[(E)-2-(4-acetamido-2-methylphenyl)ethenyl]-5-(methylamino)benzenesulfonic acid IUPAC Name: 2-[(E)-2-(4-acetamido-2-methylphenyl)ethenyl]-5-(methylamino)benzenesulfonic acid Traditional Name: 2-[(E)-2-(4-acetamido-2-methyl-phenyl)vinyl]-5-(methylamino)besylic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C)C=CC2=C(C=C(C=C2)NC)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C)/C=C/C2=C(C=C(C=C2)NC)S(=O)(=O)O

InChI

InChI=1S/C18H20N2O4S/c1-12-10-17(20-13(2)21)9-6-14(12)4-5-15-7-8-16(19-3)11-18(15)25(22,23)24/h4-11,19H,1-3H3,(H,20,21)(H,22,23,24)/b5-4+