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

Systemtic Name: ethyl 1-(3-phenoxysulfonylphenyl)-6-(phenylmethyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-7-isopropylsulfonyl-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-phenoxysulfonylphenyl)-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-phenoxysulfonylphenyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-7-isopropylsulfonyl-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C38H35N3O7S2 MolecularWeight: 709.8304

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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)OC4=CC=CC=C4)S(=O)(=O)C(C)C)CC5=CC=CC=C5)CN6C=NC=N6

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)C(C)C)CC5=CC=CC=C5)CN6C=NC=N6

InChI

InChI=1S/C38H35N3O7S2/c1-4-47-38(42)37-31(23-41-25-39-24-40-41)20-29-19-30(18-27-12-7-5-8-13-27)35(49(43,44)26(2)3)22-34(29)36(37)28-14-11-17-33(21-28)50(45,46)48-32-15-9-6-10-16-32/h5-17,19-22,24-26H,4,18,23H2,1-3H3