N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxy-ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxy-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[(E)-2-thienylmethyleneamino]oxy-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[(E)-2-thenylideneamino]oxy-acetamide Formula: C19H22ClN3O4S2 MolecularWeight: 455.97868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CON=CC3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CO/N=C/C3=CC=CS3

InChI

InChI=1S/C19H22ClN3O4S2/c20-17-8-7-16(29(25,26)23-9-3-1-2-4-10-23)12-18(17)22-19(24)14-27-21-13-15-6-5-11-28-15/h5-8,11-13H,1-4,9-10,14H2,(H,22,24)/b21-13+