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

Systemtic Name: ethyl 7-ethoxy-6-oxidanyl-1-[3-(phenylsulfonyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-[3-(benzenesulfonyl)phenyl]-7-ethoxy-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-[3-(benzenesulfonyl)phenyl]-7-ethoxy-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(benzenesulfonyl)phenyl]-7-ethoxy-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-besylphenyl)-7-ethoxy-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C30H27N3O6S MolecularWeight: 557.61688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C(C=C2C=C1O)CN3C=NC=N3)C(=O)OCC)C4=CC(=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C(=C(C=C2C=C1O)CN3C=NC=N3)C(=O)OCC)C4=CC(=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H27N3O6S/c1-3-38-27-16-25-21(15-26(27)34)13-22(17-33-19-31-18-32-33)29(30(35)39-4-2)28(25)20-9-8-12-24(14-20)40(36,37)23-10-6-5-7-11-23/h5-16,18-19,34H,3-4,17H2,1-2H3