3-(azepan-1-ylsulfonyl)-N-ethyl-N-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-ethyl-N-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-ethyl-N-[2-oxo-2-(2-thienylmethylamino)ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-ethyl-N-[2-keto-2-(2-thenylamino)ethyl]benzamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H29N3O4S2/c1-2-24(17-21(26)23-16-19-10-8-14-30-19)22(27)18-9-7-11-20(15-18)31(28,29)25-12-5-3-4-6-13-25/h7-11,14-15H,2-6,12-13,16-17H2,1H3,(H,23,26)