3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-tert-butylisoxazol-5-yl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(3-tert-butyl-5-isoxazolyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-tert-butylisoxazol-5-yl)propionamide Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H31N3O4S/c1-22(2,3)19-16-21(29-24-19)23-20(26)13-10-17-8-11-18(12-9-17)30(27,28)25-14-6-4-5-7-15-25/h8-9,11-12,16H,4-7,10,13-15H2,1-3H3,(H,23,26)