ethyl 6-oxidanyl-1-[3-(phenylmethyl)phenyl]-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 6-oxidanyl-1-[3-(phenylmethyl)phenyl]-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-benzylphenyl)-6-hydroxy-7-isopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6-hydroxy-1-[3-(phenylmethyl)phenyl]-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-benzylphenyl)-6-hydroxy-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-benzylphenyl)-6-hydroxy-7-isopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C32H31N3O5S MolecularWeight: 569.67064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)CC4=CC=CC=C4)S(=O)(=O)C(C)C)O)CN5C=NC=N5

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)CC4=CC=CC=C4)S(=O)(=O)C(C)C)O)CN5C=NC=N5

InChI

InChI=1S/C32H31N3O5S/c1-4-40-32(37)31-26(18-35-20-33-19-34-35)15-25-16-28(36)29(41(38,39)21(2)3)17-27(25)30(31)24-12-8-11-23(14-24)13-22-9-6-5-7-10-22/h5-12,14-17,19-21,36H,4,13,18H2,1-3H3