N-[1-(azepan-1-yl)-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide

Systemtic Name: N-[1-(azepan-1-yl)-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide Openeye Name: N-[1-(azepane-1-carbonyl)-3-methylsulfonyl-propyl]-2-methoxy-benzamide CAS Name: N-[1-(1-azepanyl)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name: N-[1-(azepan-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: N-[1-(azepane-1-carbonyl)-3-mesyl-propyl]-2-methoxy-benzamide Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCS(=O)(=O)C)C(=O)N2CCCCCC2

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCS(=O)(=O)C)C(=O)N2CCCCCC2

InChI

InChI=1S/C19H28N2O5S/c1-26-17-10-6-5-9-15(17)18(22)20-16(11-14-27(2,24)25)19(23)21-12-7-3-4-8-13-21/h5-6,9-10,16H,3-4,7-8,11-14H2,1-2H3,(H,20,22)