N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylbutan-2-ylamino)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylbutan-2-ylamino)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1,1-dimethylpropylamino)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(2-methylbutan-2-ylamino)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylbutan-2-ylamino)acetamide Traditional Name: 2-(tert-amylamino)-N-[3-(azepan-1-ylsulfonyl)phenyl]acetamide Formula: C19H31N3O3S MolecularWeight: 381.53274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCC(C)(C)NCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C19H31N3O3S/c1-4-19(2,3)20-15-18(23)21-16-10-9-11-17(14-16)26(24,25)22-12-7-5-6-8-13-22/h9-11,14,20H,4-8,12-13,15H2,1-3H3,(H,21,23)