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

Systemtic Name: ethyl 1-(3-ethoxyphenyl)-6-oxidanyl-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-ethoxyphenyl)-6-hydroxy-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-ethoxyphenyl)-6-hydroxy-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-ethoxyphenyl)-6-hydroxy-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-hydroxy-1-m-phenetyl-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C30H27N3O7S MolecularWeight: 573.61628

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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)O)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C3C=C(C(=CC3=CC(=C2C(=O)OCC)CN4C=NC=N4)O)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C30H27N3O7S/c1-3-38-24-12-8-9-20(14-24)28-25-16-27(41(36,37)40-23-10-6-5-7-11-23)26(34)15-21(25)13-22(17-33-19-31-18-32-33)29(28)30(35)39-4-2/h5-16,18-19,34H,3-4,17H2,1-2H3