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

Systemtic Name: ethyl 6-(2-hydroxyphenyl)-1-[3-(2-hydroxyphenyl)phenyl]-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-(2-hydroxyphenyl)-1-[3-(2-hydroxyphenyl)phenyl]-7-isopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6-(2-hydroxyphenyl)-1-[3-(2-hydroxyphenyl)phenyl]-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-hydroxyphenyl)-1-[3-(2-hydroxyphenyl)phenyl]-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-(2-hydroxyphenyl)-1-[3-(2-hydroxyphenyl)phenyl]-7-isopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C37H33N3O6S MolecularWeight: 647.73942

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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)C6=CC=CC=C6O

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)C6=CC=CC=C6O

InChI

InChI=1S/C37H33N3O6S/c1-4-46-37(43)36-27(20-40-22-38-21-39-40)17-26-18-31(29-13-6-8-15-33(29)42)34(47(44,45)23(2)3)19-30(26)35(36)25-11-9-10-24(16-25)28-12-5-7-14-32(28)41/h5-19,21-23,41-42H,4,20H2,1-3H3