N-(1,3-benzothiazol-2-ylmethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide Formula: C21H16N4O5S2 MolecularWeight: 468.50554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CNC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CNC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5S2/c26-21(22-13-20-23-18-6-1-2-7-19(18)31-20)14-8-10-15(11-9-14)24-32(29,30)17-5-3-4-16(12-17)25(27)28/h1-12,24H,13H2,(H,22,26)