N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)butyramide Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O5S2/c1-21-16-10-9-15(22(24)25)12-17(16)28-19(21)20-18(23)8-5-11-29(26,27)13-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3