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

Systemtic Name: ethyl 6-(2-hydroxyphenyl)-1-(3-phenoxysulfonylphenyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-(2-hydroxyphenyl)-7-isopropylsulfonyl-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6-(2-hydroxyphenyl)-1-(3-phenoxysulfonylphenyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-hydroxyphenyl)-1-(3-phenoxysulfonylphenyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-(2-hydroxyphenyl)-7-isopropylsulfonyl-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C37H33N3O8S2 MolecularWeight: 711.80322

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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)C(C)C)C5=CC(=CC=C5)S(=O)(=O)OC6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2C=C1CN3C=NC=N3)C4=CC=CC=C4O)S(=O)(=O)C(C)C)C5=CC(=CC=C5)S(=O)(=O)OC6=CC=CC=C6

InChI

InChI=1S/C37H33N3O8S2/c1-4-47-37(42)36-27(21-40-23-38-22-39-40)17-26-19-32(30-15-8-9-16-33(30)41)34(49(43,44)24(2)3)20-31(26)35(36)25-11-10-14-29(18-25)50(45,46)48-28-12-6-5-7-13-28/h5-20,22-24,41H,4,21H2,1-3H3