5-[(4-nitrophenyl)sulfonyl-(phenylmethoxymethyl)amino]-1,3,4-thiadiazole-2-sulfonamide

Systemtic Name: 5-[(4-nitrophenyl)sulfonyl-(phenylmethoxymethyl)amino]-1,3,4-thiadiazole-2-sulfonamide Openeye Name: 5-[benzyloxymethyl-(4-nitrophenyl)sulfonyl-amino]-1,3,4-thiadiazole-2-sulfonamide CAS Name: 5-[(4-nitrophenyl)sulfonyl-(phenylmethoxymethyl)amino]-1,3,4-thiadiazole-2-sulfonamide IUPAC Name: 5-[(4-nitrophenyl)sulfonyl-(phenylmethoxymethyl)amino]-1,3,4-thiadiazole-2-sulfonamide Traditional Name: 5-[benzoxymethyl(nosyl)amino]-1,3,4-thiadiazole-2-sulfonamide Formula: C16H15N5O7S3 MolecularWeight: 485.5146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCN(C2=NN=C(S2)S(=O)(=O)N)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COCN(C2=NN=C(S2)S(=O)(=O)N)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O7S3/c17-30(24,25)16-19-18-15(29-16)20(11-28-10-12-4-2-1-3-5-12)31(26,27)14-8-6-13(7-9-14)21(22)23/h1-9H,10-11H2,(H2,17,24,25)