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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(3-methylbutan-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(1,2-dimethylpropyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(3-methylbutan-2-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(3-methylbutan-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(1,2-dimethylpropyl)benzamide Formula: C18H27ClN2O3S MolecularWeight: 386.93658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN2O3S/c1-13(2)14(3)20-18(22)15-8-9-16(19)17(12-15)25(23,24)21-10-6-4-5-7-11-21/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,20,22)