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

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-(phenylsulfonylamino)propanamide Openeye Name: 3-(benzenesulfonamido)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(benzenesulfonamido)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(benzenesulfonamido)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(benzenesulfonamido)-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C16H14N4O5S2 MolecularWeight: 406.43616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O5S2/c21-15(8-9-17-27(24,25)12-4-2-1-3-5-12)19-16-18-13-7-6-11(20(22)23)10-14(13)26-16/h1-7,10,17H,8-9H2,(H,18,19,21)