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

Systemtic Name: ethyl 6-methoxy-7-phenoxysulfonyl-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-benzylphenyl)-6-methoxy-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6-methoxy-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-methoxy-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-benzylphenyl)-6-methoxy-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C36H31N3O6S MolecularWeight: 633.71284

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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)OC)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)OC)CN6C=NC=N6

InChI

InChI=1S/C36H31N3O6S/c1-3-44-36(40)35-29(22-39-24-37-23-38-39)19-28-20-32(43-2)33(46(41,42)45-30-15-8-5-9-16-30)21-31(28)34(35)27-14-10-13-26(18-27)17-25-11-6-4-7-12-25/h4-16,18-21,23-24H,3,17,22H2,1-2H3