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

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonyl-butanamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonyl-butanamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonylbutanamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonylbutanamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonyl-butyramide Formula: C19H19N3O7S2 MolecularWeight: 465.50006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19N3O7S2/c1-28-13-5-7-14(8-6-13)31(26,27)9-3-4-17(23)20-19-21-18-15(29-2)10-12(22(24)25)11-16(18)30-19/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21,23)