N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H23N3O4S2/c25-20(15-29-21-23-18-10-3-4-11-19(18)28-21)22-16-8-7-9-17(14-16)30(26,27)24-12-5-1-2-6-13-24/h3-4,7-11,14H,1-2,5-6,12-13,15H2,(H,22,25)