N-(1,3-benzothiazol-2-yl)-4-[methyl-(4-nitrophenyl)sulfonyl-amino]butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-[methyl-(4-nitrophenyl)sulfonyl-amino]butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-[methyl-(4-nitrophenyl)sulfonyl-amino]butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-[methyl-(4-nitrophenyl)sulfonylamino]butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-[methyl-(4-nitrophenyl)sulfonylamino]butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-[methyl(nosyl)amino]butyramide Formula: C18H18N4O5S2 MolecularWeight: 434.48932

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC(=O)NC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S2/c1-21(29(26,27)14-10-8-13(9-11-14)22(24)25)12-4-7-17(23)20-18-19-15-5-2-3-6-16(15)28-18/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,19,20,23)