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

Systemtic Name: ethyl 7-ethoxy-1-(3-phenoxysulfonylphenyl)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-7-ethoxy-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-ethoxy-1-(3-phenoxysulfonylphenyl)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-7-ethoxy-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-7-ethoxy-1-(3-phenoxysulfonylphenyl)-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:

CCOC1=CC2=C(C(=C(C=C2C=C1CC3=CC=CC=C3)CN4C=NC=N4)C(=O)OCC)C5=CC(=CC=C5)S(=O)(=O)OC6=CC=CC=C6

Isomeric SMILES

CCOC1=CC2=C(C(=C(C=C2C=C1CC3=CC=CC=C3)CN4C=NC=N4)C(=O)OCC)C5=CC(=CC=C5)S(=O)(=O)OC6=CC=CC=C6

InChI

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