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

Systemtic Name: ethyl 1-(3-ethoxyphenyl)-6-methoxy-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-ethoxyphenyl)-6-methoxy-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-ethoxyphenyl)-6-methoxy-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-ethoxyphenyl)-6-methoxy-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-methoxy-1-m-phenetyl-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C31H29N3O7S MolecularWeight: 587.64286

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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)OC)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C3C=C(C(=CC3=CC(=C2C(=O)OCC)CN4C=NC=N4)OC)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C31H29N3O7S/c1-4-39-25-13-9-10-21(15-25)29-26-17-28(42(36,37)41-24-11-7-6-8-12-24)27(38-3)16-22(26)14-23(18-34-20-32-19-33-34)30(29)31(35)40-5-2/h6-17,19-20H,4-5,18H2,1-3H3