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

Systemtic Name: ethyl 4-[(1,2,5-trimethyl-4-pyrrolidin-1-ylcarbonyl-pyrrol-3-yl)sulfonylamino]benzoate Openeye Name: ethyl 4-[[1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]benzoate CAS Name: 4-[[1,2,5-trimethyl-4-[oxo(1-pyrrolidinyl)methyl]-3-pyrrolyl]sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]benzoate Traditional Name: 4-[[1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]benzoic acid ethyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCC3)C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCC3)C)C)C

InChI

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