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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-(nosylamino)propionamide Formula: C17H16N4O7S3 MolecularWeight: 484.52654

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O7S3/c1-30(25,26)13-6-7-14-15(10-13)29-17(19-14)20-16(22)8-9-18-31(27,28)12-4-2-11(3-5-12)21(23)24/h2-7,10,18H,8-9H2,1H3,(H,19,20,22)