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

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-(nosylamino)propionamide Formula: C16H13N5O7S2 MolecularWeight: 451.43372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O7S2/c22-15(19-16-18-13-6-3-11(21(25)26)9-14(13)29-16)7-8-17-30(27,28)12-4-1-10(2-5-12)20(23)24/h1-6,9,17H,7-8H2,(H,18,19,22)