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

Systemtic Name: ethyl 1-(3-ethoxyphenyl)-7-phenoxysulfonyl-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-1-(3-ethoxyphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-ethoxyphenyl)-7-phenoxysulfonyl-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-1-(3-ethoxyphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-1-m-phenetyl-7-phenoxysulfonyl-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=CC=CC(=C1)C2=C3C=C(C(=CC3=CC(=C2C(=O)OCC)CN4C=NC=N4)CC5=CC=CC=C5)S(=O)(=O)OC6=CC=CC=C6

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C3C=C(C(=CC3=CC(=C2C(=O)OCC)CN4C=NC=N4)CC5=CC=CC=C5)S(=O)(=O)OC6=CC=CC=C6

InChI

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