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

Systemtic Name: ethyl 1-(3-bromophenyl)-7-phenoxysulfonyl-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-1-(3-bromophenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-bromophenyl)-7-phenoxysulfonyl-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-1-(3-bromophenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-1-(3-bromophenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C35H28BrN3O5S MolecularWeight: 682.58292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)Br)S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5)CN6C=NC=N6

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)Br)S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5)CN6C=NC=N6

InChI

InChI=1S/C35H28BrN3O5S/c1-2-43-35(40)34-28(21-39-23-37-22-38-39)18-26-17-27(16-24-10-5-3-6-11-24)32(45(41,42)44-30-14-7-4-8-15-30)20-31(26)33(34)25-12-9-13-29(36)19-25/h3-15,17-20,22-23H,2,16,21H2,1H3