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

Systemtic Name: ethyl 6-(phenylmethyl)-7-propan-2-ylsulfonyl-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-7-isopropylsulfonyl-1-(3-isopropylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6-(phenylmethyl)-7-propan-2-ylsulfonyl-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-7-propan-2-ylsulfonyl-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-7-isopropylsulfonyl-1-(3-isopropylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C35H37N3O6S2 MolecularWeight: 659.81478

Click to see the large picture

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)C(C)C)CC4=CC=CC=C4)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)C(C)C)CC4=CC=CC=C4)CN5C=NC=N5

InChI

InChI=1S/C35H37N3O6S2/c1-6-44-35(39)34-29(20-38-22-36-21-37-38)17-27-16-28(15-25-11-8-7-9-12-25)32(46(42,43)24(4)5)19-31(27)33(34)26-13-10-14-30(18-26)45(40,41)23(2)3/h7-14,16-19,21-24H,6,15,20H2,1-5H3