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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,2-benzoxazol-3-yl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-indoxazen-3-yl-acetamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=NOC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=NOC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O4S/c25-21(15-19-18-7-3-4-8-20(18)28-23-19)22-16-9-11-17(12-10-16)29(26,27)24-13-5-1-2-6-14-24/h3-4,7-12H,1-2,5-6,13-15H2,(H,22,25)