N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(2-keto-1,3-benzoxazol-3-yl)butyramide Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C23H27N3O5S/c27-22(13-8-16-26-20-11-3-4-12-21(20)31-23(26)28)24-18-9-7-10-19(17-18)32(29,30)25-14-5-1-2-6-15-25/h3-4,7,9-12,17H,1-2,5-6,8,13-16H2,(H,24,27)