3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-1,3-benzoxazol-5-yl)propionamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(O1)C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=NC2=C(O1)C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H27N3O4S/c1-17-24-21-16-19(9-12-22(21)30-17)25-23(27)13-8-18-6-10-20(11-7-18)31(28,29)26-14-4-2-3-5-15-26/h6-7,9-12,16H,2-5,8,13-15H2,1H3,(H,25,27)