N-(6-nitro-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-besyl-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S2/c20-15(8-9-26(23,24)12-4-2-1-3-5-12)18-16-17-13-7-6-11(19(21)22)10-14(13)25-16/h1-7,10H,8-9H2,(H,17,18,20)