ethyl 7-ethoxy-6-methoxy-1-[3-(phenylsulfonyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 7-ethoxy-6-methoxy-1-[3-(phenylsulfonyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-[3-(benzenesulfonyl)phenyl]-7-ethoxy-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-[3-(benzenesulfonyl)phenyl]-7-ethoxy-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(benzenesulfonyl)phenyl]-7-ethoxy-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-besylphenyl)-7-ethoxy-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C31H29N3O6S MolecularWeight: 571.64346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C(C=C2C=C1OC)CN3C=NC=N3)C(=O)OCC)C4=CC(=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C(=C(C=C2C=C1OC)CN3C=NC=N3)C(=O)OCC)C4=CC(=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H29N3O6S/c1-4-39-28-17-26-22(16-27(28)38-3)14-23(18-34-20-32-19-33-34)30(31(35)40-5-2)29(26)21-10-9-13-25(15-21)41(36,37)24-11-7-6-8-12-24/h6-17,19-20H,4-5,18H2,1-3H3