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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-keto-1,3-benzothiazol-3-yl)acetamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C4=CC=CC=C4SC3=O

InChI

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