ethyl 1-(3-ethoxyphenyl)-6-(2-hydroxyphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 1-(3-ethoxyphenyl)-6-(2-hydroxyphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-ethoxyphenyl)-6-(2-hydroxyphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-ethoxyphenyl)-6-(2-hydroxyphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-ethoxyphenyl)-6-(2-hydroxyphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-(2-hydroxyphenyl)-1-m-phenetyl-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C36H31N3O7S MolecularWeight: 649.71224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=C(C(=CC3=CC(=C(C=C32)S(=O)(=O)OC4=CC=CC=C4)C5=CC=CC=C5O)CN6C=NC=N6)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C(C(=CC3=CC(=C(C=C32)S(=O)(=O)OC4=CC=CC=C4)C5=CC=CC=C5O)CN6C=NC=N6)C(=O)OCC

InChI

InChI=1S/C36H31N3O7S/c1-3-44-28-14-10-11-24(18-28)34-30-20-33(47(42,43)46-27-12-6-5-7-13-27)31(29-15-8-9-16-32(29)40)19-25(30)17-26(21-39-23-37-22-38-39)35(34)36(41)45-4-2/h5-20,22-23,40H,3-4,21H2,1-2H3