N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(benzenesulfonyl)-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-besyl-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butyramide Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O5S2/c1-20-15-12-13(21(23)24)9-10-16(15)27-18(20)19-17(22)8-5-11-28(25,26)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3