3-[(4-bromophenyl)sulfonylamino]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(4-bromophenyl)sulfonylamino]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(brosylamino)-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C16H13BrN4O5S2 MolecularWeight: 485.33222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)NCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)NCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H13BrN4O5S2/c17-10-1-4-12(5-2-10)28(25,26)18-8-7-15(22)20-16-19-13-6-3-11(21(23)24)9-14(13)27-16/h1-6,9,18H,7-8H2,(H,19,20,22)