ethyl 6,7-dimethoxy-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 6,7-dimethoxy-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-isopropylsulfonylphenyl)-6,7-dimethoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6,7-dimethoxy-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dimethoxy-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-isopropylsulfonylphenyl)-6,7-dimethoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C27H29N3O6S MolecularWeight: 523.60066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)S(=O)(=O)C(C)C)OC)OC)CN4C=NC=N4

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)S(=O)(=O)C(C)C)OC)OC)CN4C=NC=N4

InChI

InChI=1S/C27H29N3O6S/c1-6-36-27(31)26-20(14-30-16-28-15-29-30)10-19-12-23(34-4)24(35-5)13-22(19)25(26)18-8-7-9-21(11-18)37(32,33)17(2)3/h7-13,15-17H,6,14H2,1-5H3