2-[(3-nitrophenyl)methylsulfonyl]-1,3-benzothiazole

Systemtic Name: 2-[(3-nitrophenyl)methylsulfonyl]-1,3-benzothiazole Openeye Name: 2-[(3-nitrophenyl)methylsulfonyl]-1,3-benzothiazole CAS Name: 2-[(3-nitrophenyl)methylsulfonyl]-1,3-benzothiazole IUPAC Name: 2-[(3-nitrophenyl)methylsulfonyl]-1,3-benzothiazole Traditional Name: 2-(3-nitrobenzyl)sulfonyl-1,3-benzothiazole Formula: C14H10N2O4S2 MolecularWeight: 334.3702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O4S2/c17-16(18)11-5-3-4-10(8-11)9-22(19,20)14-15-12-6-1-2-7-13(12)21-14/h1-8H,9H2