[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C20H23ClN2O5S2 MolecularWeight: 470.99002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O5S2/c21-17-8-7-15(12-18(17)30(26,27)23-9-3-1-2-4-10-23)20(25)28-14-19(24)22-13-16-6-5-11-29-16/h5-8,11-12H,1-4,9-10,13-14H2,(H,22,24)