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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-(nosylamino)propionamide Formula: C16H14N4O5S2 MolecularWeight: 406.43616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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