ethyl 7-oxidanyl-1-(3-phenoxysulfonylphenyl)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 7-oxidanyl-1-(3-phenoxysulfonylphenyl)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-7-hydroxy-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-hydroxy-1-(3-phenoxysulfonylphenyl)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-7-hydroxy-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-7-hydroxy-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C35H29N3O6S MolecularWeight: 619.68626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)S(=O)(=O)OC4=CC=CC=C4)O)CC5=CC=CC=C5)CN6C=NC=N6

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)S(=O)(=O)OC4=CC=CC=C4)O)CC5=CC=CC=C5)CN6C=NC=N6

InChI

InChI=1S/C35H29N3O6S/c1-2-43-35(40)34-28(21-38-23-36-22-37-38)18-26-17-27(16-24-10-5-3-6-11-24)32(39)20-31(26)33(34)25-12-9-15-30(19-25)45(41,42)44-29-13-7-4-8-14-29/h3-15,17-20,22-23,39H,2,16,21H2,1H3