ethyl 3-[[4-(azepan-1-ylcarbonyl)-1,2,5-trimethyl-pyrrol-3-yl]sulfonylamino]benzoate

Systemtic Name: ethyl 3-[[4-(azepan-1-ylcarbonyl)-1,2,5-trimethyl-pyrrol-3-yl]sulfonylamino]benzoate Openeye Name: ethyl 3-[[4-(azepane-1-carbonyl)-1,2,5-trimethyl-pyrrol-3-yl]sulfonylamino]benzoate CAS Name: 3-[[4-[1-azepanyl(oxo)methyl]-1,2,5-trimethyl-3-pyrrolyl]sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(azepane-1-carbonyl)-1,2,5-trimethylpyrrol-3-yl]sulfonylamino]benzoate Traditional Name: 3-[[4-(azepane-1-carbonyl)-1,2,5-trimethyl-pyrrol-3-yl]sulfonylamino]benzoic acid ethyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C

InChI

InChI=1S/C23H31N3O5S/c1-5-31-23(28)18-11-10-12-19(15-18)24-32(29,30)21-17(3)25(4)16(2)20(21)22(27)26-13-8-6-7-9-14-26/h10-12,15,24H,5-9,13-14H2,1-4H3