ethyl 4-[(2,5-dimethyl-4-piperidin-1-ylcarbonyl-1H-pyrrol-3-yl)sulfonylamino]benzoate

Systemtic Name: ethyl 4-[(2,5-dimethyl-4-piperidin-1-ylcarbonyl-1H-pyrrol-3-yl)sulfonylamino]benzoate Openeye Name: ethyl 4-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]benzoate CAS Name: 4-[[2,5-dimethyl-4-[oxo(1-piperidinyl)methyl]-1H-pyrrol-3-yl]sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]benzoate Traditional Name: 4-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]benzoic acid ethyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCCC3)C)C

InChI

InChI=1S/C21H27N3O5S/c1-4-29-21(26)16-8-10-17(11-9-16)23-30(27,28)19-15(3)22-14(2)18(19)20(25)24-12-6-5-7-13-24/h8-11,22-23H,4-7,12-13H2,1-3H3