N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)propanamide CAS Name: 3-(benzenesulfonyl)-N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-besyl-N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)propionamide Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O5S2/c1-2-20-15-12-13(21(23)24)8-9-16(15)27-18(20)19-17(22)10-11-28(25,26)14-6-4-3-5-7-14/h3-9,12H,2,10-11H2,1H3