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

Systemtic Name: ethyl 6-(2-hydroxyphenyl)-7-phenoxysulfonyl-1-[3-(phenylsulfonyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-[3-(benzenesulfonyl)phenyl]-6-(2-hydroxyphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-[3-(benzenesulfonyl)phenyl]-6-(2-hydroxyphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(benzenesulfonyl)phenyl]-6-(2-hydroxyphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-besylphenyl)-6-(2-hydroxyphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C40H31N3O8S2 MolecularWeight: 745.81944

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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)S(=O)(=O)C7=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)S(=O)(=O)C7=CC=CC=C7

InChI

InChI=1S/C40H31N3O8S2/c1-2-50-40(45)39-29(24-43-26-41-25-42-43)20-28-22-35(33-18-9-10-19-36(33)44)37(53(48,49)51-30-13-5-3-6-14-30)23-34(28)38(39)27-12-11-17-32(21-27)52(46,47)31-15-7-4-8-16-31/h3-23,25-26,44H,2,24H2,1H3