ethyl 6-oxidanyl-7-phenoxysulfonyl-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 6-oxidanyl-7-phenoxysulfonyl-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-hydroxy-1-(3-isopropylsulfonylphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6-hydroxy-7-phenoxysulfonyl-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-hydroxy-7-phenoxysulfonyl-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-hydroxy-1-(3-isopropylsulfonylphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C31H29N3O8S2 MolecularWeight: 635.70726

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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)C(C)C)S(=O)(=O)OC4=CC=CC=C4)O)CN5C=NC=N5

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)S(=O)(=O)C(C)C)S(=O)(=O)OC4=CC=CC=C4)O)CN5C=NC=N5

InChI

InChI=1S/C31H29N3O8S2/c1-4-41-31(36)30-23(17-34-19-32-18-33-34)13-22-15-27(35)28(44(39,40)42-24-10-6-5-7-11-24)16-26(22)29(30)21-9-8-12-25(14-21)43(37,38)20(2)3/h5-16,18-20,35H,4,17H2,1-3H3