2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbonylamino]benzoate

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbonylamino]benzoate Openeye Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-benzoyl]amino]benzoate CAS Name: 2-[[[3-(1-azepanylsulfonyl)-4-methylphenyl]-oxomethyl]amino]benzoate IUPAC Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methylbenzoyl]amino]benzoate Traditional Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-benzoyl]amino]benzoate Formula: C21H23N2O5S- MolecularWeight: 415.48272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)[O-])S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)[O-])S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H24N2O5S/c1-15-10-11-16(20(24)22-18-9-5-4-8-17(18)21(25)26)14-19(15)29(27,28)23-12-6-2-3-7-13-23/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,22,24)(H,25,26)/p-1