3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(6-oxidanylidene-1-propyl-pyridin-3-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(6-oxidanylidene-1-propyl-pyridin-3-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-oxo-1-propyl-3-pyridyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-oxo-1-propylpyridin-3-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-keto-1-propyl-3-pyridyl)benzamide Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=CC1=O)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCN1C=C(C=CC1=O)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26ClN3O4S/c1-2-11-24-15-17(8-10-20(24)26)23-21(27)16-7-9-18(22)19(14-16)30(28,29)25-12-5-3-4-6-13-25/h7-10,14-15H,2-6,11-13H2,1H3,(H,23,27)