N-(6-nitro-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-besyl-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5S2/c21-16(7-4-10-27(24,25)13-5-2-1-3-6-13)19-17-18-14-9-8-12(20(22)23)11-15(14)26-17/h1-3,5-6,8-9,11H,4,7,10H2,(H,18,19,21)