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

Systemtic Name: ethyl 6-oxidanyl-7-phenoxysulfonyl-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-benzylphenyl)-6-hydroxy-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6-hydroxy-7-phenoxysulfonyl-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-benzylphenyl)-6-hydroxy-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-benzylphenyl)-6-hydroxy-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C35H29N3O6S MolecularWeight: 619.68626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5)O)CN6C=NC=N6

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5)O)CN6C=NC=N6

InChI

InChI=1S/C35H29N3O6S/c1-2-43-35(40)34-28(21-38-23-36-22-37-38)18-27-19-31(39)32(45(41,42)44-29-14-7-4-8-15-29)20-30(27)33(34)26-13-9-12-25(17-26)16-24-10-5-3-6-11-24/h3-15,17-20,22-23,39H,2,16,21H2,1H3