6-nitro-4-(phenylmethyl)sulfonyl-1,2-benzothiazol-3-one

Systemtic Name: 6-nitro-4-(phenylmethyl)sulfonyl-1,2-benzothiazol-3-one Openeye Name: 4-benzylsulfonyl-6-nitro-1,2-benzothiazol-3-one CAS Name: 6-nitro-4-(phenylmethyl)sulfonyl-1,2-benzothiazol-3-one IUPAC Name: 4-benzylsulfonyl-6-nitro-1,2-benzothiazol-3-one Traditional Name: 4-benzylsulfonyl-6-nitro-1,2-benzothiazol-3-one Formula: C14H10N2O5S2 MolecularWeight: 350.3696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=CC(=CC3=C2C(=O)NS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=CC(=CC3=C2C(=O)NS3)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O5S2/c17-14-13-11(22-15-14)6-10(16(18)19)7-12(13)23(20,21)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,17)