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

Systemtic Name: ethyl 1-(3-ethoxyphenyl)-6-(phenylmethyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-1-(3-ethoxyphenyl)-7-isopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-ethoxyphenyl)-6-(phenylmethyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-1-(3-ethoxyphenyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-7-isopropylsulfonyl-1-m-phenetyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C34H35N3O5S MolecularWeight: 597.7238

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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)C(C)C

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)C(C)C

InChI

InChI=1S/C34H35N3O5S/c1-5-41-29-14-10-13-25(18-29)32-30-19-31(43(39,40)23(3)4)27(15-24-11-8-7-9-12-24)16-26(30)17-28(20-37-22-35-21-36-37)33(32)34(38)42-6-2/h7-14,16-19,21-23H,5-6,15,20H2,1-4H3