N-(4-methoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N-(4-methoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-1,3-benzoxazole-5-sulfonamide Openeye Name: N-(4-methoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-1,3-benzoxazole-5-sulfonamide CAS Name: N-(4-methoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-1,3-benzoxazole-5-sulfonamide IUPAC Name: N-(4-methoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-1,3-benzoxazole-5-sulfonamide Traditional Name: N-(4-methoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-1,3-benzoxazole-5-sulfonamide Formula: C21H15N5O6S2 MolecularWeight: 497.5037

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O6S2/c1-31-14-5-2-12(3-6-14)25-34(29,30)15-7-9-18-17(11-15)22-20(32-18)24-21-23-16-8-4-13(26(27)28)10-19(16)33-21/h2-11,25H,1H3,(H,22,23,24)