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

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-benzylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S2/c22-17(7-4-10-28(25,26)12-13-5-2-1-3-6-13)20-18-19-15-9-8-14(21(23)24)11-16(15)27-18/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,19,20,22)