ethyl 6-(2-hydroxyphenyl)-7-phenoxysulfonyl-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 6-(2-hydroxyphenyl)-7-phenoxysulfonyl-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-benzylphenyl)-6-(2-hydroxyphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6-(2-hydroxyphenyl)-7-phenoxysulfonyl-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-benzylphenyl)-6-(2-hydroxyphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-benzylphenyl)-6-(2-hydroxyphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C41H33N3O6S MolecularWeight: 695.78222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2C=C1CN3C=NC=N3)C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5)C6=CC(=CC=C6)CC7=CC=CC=C7

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2C=C1CN3C=NC=N3)C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5)C6=CC(=CC=C6)CC7=CC=CC=C7

InChI

InChI=1S/C41H33N3O6S/c1-2-49-41(46)40-32(25-44-27-42-26-43-44)22-31-23-36(34-18-9-10-19-37(34)45)38(51(47,48)50-33-16-7-4-8-17-33)24-35(31)39(40)30-15-11-14-29(21-30)20-28-12-5-3-6-13-28/h3-19,21-24,26-27,45H,2,20,25H2,1H3