4-[2-[2-(benzotriazol-1-ylmethoxy)-4-methoxy-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzenesulfonamide

Systemtic Name: 4-[2-[2-(benzotriazol-1-ylmethoxy)-4-methoxy-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzenesulfonamide Openeye Name: 4-[2-[2-(benzotriazol-1-ylmethoxy)-4-methoxy-5-(2-thienyl)phenyl]prop-2-enoyl]benzenesulfonamide CAS Name: 4-[2-[2-(1-benzotriazolylmethoxy)-4-methoxy-5-thiophen-2-ylphenyl]-1-oxoprop-2-enyl]benzenesulfonamide IUPAC Name: 4-[2-[2-(benzotriazol-1-ylmethoxy)-4-methoxy-5-thiophen-2-ylphenyl]prop-2-enoyl]benzenesulfonamide Traditional Name: 4-[2-[2-(benzotriazol-1-ylmethoxy)-4-methoxy-5-(2-thienyl)phenyl]acryloyl]benzenesulfonamide Formula: C27H22N4O5S2 MolecularWeight: 546.61738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N)OCN4C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N)OCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C27H22N4O5S2/c1-17(27(32)18-9-11-19(12-10-18)38(28,33)34)20-14-21(26-8-5-13-37-26)24(35-2)15-25(20)36-16-31-23-7-4-3-6-22(23)29-30-31/h3-15H,1,16H2,2H3,(H2,28,33,34)