3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-methylbutan-2-yl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-methylbutan-2-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,2-dimethylpropyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(3-methylbutan-2-yl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-methylbutan-2-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,2-dimethylpropyl)propionamide Formula: C20H32N2O3S MolecularWeight: 380.54468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)C(C)NC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C20H32N2O3S/c1-16(2)17(3)21-20(23)13-10-18-8-11-19(12-9-18)26(24,25)22-14-6-4-5-7-15-22/h8-9,11-12,16-17H,4-7,10,13-15H2,1-3H3,(H,21,23)