3-ethylsulfonyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3-ethylsulfonyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3-ethylsulfonyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-ethylsulfonyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-ethylsulfonyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3-esyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C17H15N3O6S2 MolecularWeight: 421.4475

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H15N3O6S2/c1-3-28(24,25)12-6-4-5-10(7-12)16(21)19-17-18-15-13(26-2)8-11(20(22)23)9-14(15)27-17/h4-9H,3H2,1-2H3,(H,18,19,21)