4-(1,3-benzothiazol-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-(4-nosylphenyl)butyramide Formula: C23H19N3O5S2 MolecularWeight: 481.54406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O5S2/c27-22(6-3-7-23-25-20-4-1-2-5-21(20)32-23)24-16-8-12-18(13-9-16)33(30,31)19-14-10-17(11-15-19)26(28)29/h1-2,4-5,8-15H,3,6-7H2,(H,24,27)