(3,5-dimethylphenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: (3,5-dimethylphenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (3,5-dimethylphenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (3,5-dimethylbenzyl) ester Formula: C23H29NO5S MolecularWeight: 431.54506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C23H29NO5S/c1-17-12-18(2)14-19(13-17)16-29-23(25)20-8-9-21(28-3)22(15-20)30(26,27)24-10-6-4-5-7-11-24/h8-9,12-15H,4-7,10-11,16H2,1-3H3