3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(1-oxidanylbutan-2-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(1-oxidanylbutan-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[1-(hydroxymethyl)propyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(1-hydroxybutan-2-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(1-hydroxybutan-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(1-methylolpropyl)benzamide Formula: C17H25ClN2O4S MolecularWeight: 388.9094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCC(CO)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C17H25ClN2O4S/c1-2-14(12-21)19-17(22)13-7-8-15(18)16(11-13)25(23,24)20-9-5-3-4-6-10-20/h7-8,11,14,21H,2-6,9-10,12H2,1H3,(H,19,22)