ethyl 1-(3-ethoxyphenyl)-6-methoxy-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 1-(3-ethoxyphenyl)-6-methoxy-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-ethoxyphenyl)-7-isopropylsulfonyl-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-ethoxyphenyl)-6-methoxy-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-ethoxyphenyl)-6-methoxy-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-isopropylsulfonyl-6-methoxy-1-m-phenetyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C28H31N3O6S MolecularWeight: 537.62724

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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)OC)S(=O)(=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O6S/c1-6-36-22-10-8-9-19(12-22)26-23-14-25(38(33,34)18(3)4)24(35-5)13-20(23)11-21(15-31-17-29-16-30-31)27(26)28(32)37-7-2/h8-14,16-18H,6-7,15H2,1-5H3