4-(4-but-2-ynoxyphenyl)sulfonyl-1-(phenylcarbonyl)-1,4-diazepane-5-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(phenylcarbonyl)-1,4-diazepane-5-carboxylic acid Openeye Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-5-carboxylic acid CAS Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-5-carboxylic acid IUPAC Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-5-carboxylic acid Traditional Name: 1-benzoyl-4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-5-carboxylic acid Formula: C23H24N2O6S MolecularWeight: 456.51146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCC2C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCC2C(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H24N2O6S/c1-2-3-17-31-19-9-11-20(12-10-19)32(29,30)25-16-15-24(14-13-21(25)23(27)28)22(26)18-7-5-4-6-8-18/h4-12,21H,13-17H2,1H3,(H,27,28)