6-nitro-2-(phenylmethyl)sulfonyl-1,3-benzothiazole

Systemtic Name: 6-nitro-2-(phenylmethyl)sulfonyl-1,3-benzothiazole Openeye Name: 2-benzylsulfonyl-6-nitro-1,3-benzothiazole CAS Name: 6-nitro-2-(phenylmethyl)sulfonyl-1,3-benzothiazole IUPAC Name: 2-benzylsulfonyl-6-nitro-1,3-benzothiazole Traditional Name: 2-benzylsulfonyl-6-nitro-1,3-benzothiazole Formula: C14H10N2O4S2 MolecularWeight: 334.3702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

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