2-(pyridin-3-ylcarbonylamino)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: 2-(pyridin-3-ylcarbonylamino)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: 2-(pyridine-3-carbonylamino)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid 2-nicotinamidoethyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCNC(=O)C3=CN=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H21N3O5S/c23-18(16-4-3-9-20-14-16)21-10-13-27-19(24)15-5-7-17(8-6-15)28(25,26)22-11-1-2-12-22/h3-9,14H,1-2,10-13H2,(H,21,23)