ethyl 4-[(4-pyrrolidin-1-ylsulfonylthiophen-2-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(4-pyrrolidin-1-ylsulfonylthiophen-2-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoate CAS Name: 4-[[oxo-[4-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoate Traditional Name: 4-[(4-pyrrolidinosulfonylthiophene-2-carbonyl)amino]benzoic acid ethyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H20N2O5S2/c1-2-25-18(22)13-5-7-14(8-6-13)19-17(21)16-11-15(12-26-16)27(23,24)20-9-3-4-10-20/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,21)