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

Systemtic Name: ethyl 1-(3-ethoxyphenyl)-6-(2-hydroxyphenyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-ethoxyphenyl)-6-(2-hydroxyphenyl)-7-isopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-ethoxyphenyl)-6-(2-hydroxyphenyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-ethoxyphenyl)-6-(2-hydroxyphenyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-(2-hydroxyphenyl)-7-isopropylsulfonyl-1-m-phenetyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C33H33N3O6S MolecularWeight: 599.69662

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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)C(C)C)C4=CC=CC=C4O)CN5C=NC=N5)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C(C(=CC3=CC(=C(C=C32)S(=O)(=O)C(C)C)C4=CC=CC=C4O)CN5C=NC=N5)C(=O)OCC

InChI

InChI=1S/C33H33N3O6S/c1-5-41-25-11-9-10-22(15-25)31-27-17-30(43(39,40)21(3)4)28(26-12-7-8-13-29(26)37)16-23(27)14-24(18-36-20-34-19-35-36)32(31)33(38)42-6-2/h7-17,19-21,37H,5-6,18H2,1-4H3