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

Systemtic Name: ethyl 6-methoxy-7-phenoxysulfonyl-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-methoxy-7-phenoxysulfonyl-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6-methoxy-7-phenoxysulfonyl-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-methoxy-7-phenoxysulfonyl-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-methoxy-7-phenoxysulfonyl-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C35H29N3O9S2 MolecularWeight: 699.74946

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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)OC)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)OC5=CC=CC=C5)OC)CN6C=NC=N6

InChI

InChI=1S/C35H29N3O9S2/c1-3-45-35(39)34-26(21-38-23-36-22-37-38)17-25-19-31(44-2)32(49(42,43)47-28-14-8-5-9-15-28)20-30(25)33(34)24-11-10-16-29(18-24)48(40,41)46-27-12-6-4-7-13-27/h4-20,22-23H,3,21H2,1-2H3