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

Systemtic Name: ethyl 7-phenoxysulfonyl-1-(3-phenoxysulfonylphenyl)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-7-phenoxysulfonyl-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-phenoxysulfonyl-1-(3-phenoxysulfonylphenyl)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-7-phenoxysulfonyl-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-7-phenoxysulfonyl-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C41H33N3O8S2 MolecularWeight: 759.84602

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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)OC5=CC=CC=C5)CC6=CC=CC=C6)CN7C=NC=N7

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)OC5=CC=CC=C5)CC6=CC=CC=C6)CN7C=NC=N7

InChI

InChI=1S/C41H33N3O8S2/c1-2-50-41(45)40-33(26-44-28-42-27-43-44)23-31-22-32(21-29-13-6-3-7-14-29)38(54(48,49)52-35-18-10-5-11-19-35)25-37(31)39(40)30-15-12-20-36(24-30)53(46,47)51-34-16-8-4-9-17-34/h3-20,22-25,27-28H,2,21,26H2,1H3