[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H24N2O5S2/c23-19(21-14-17-6-5-13-28-17)15-27-20(24)16-7-9-18(10-8-16)29(25,26)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12,14-15H2,(H,21,23)