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

Systemtic Name: 3-[(4-methylphenyl)sulfonylamino]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonylamino)propanamide CAS Name: 3-[(4-methylphenyl)sulfonylamino]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[(4-methylphenyl)sulfonylamino]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-(tosylamino)propionamide Formula: C17H16N4O5S2 MolecularWeight: 420.46274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S2/c1-11-2-5-13(6-3-11)28(25,26)18-9-8-16(22)20-17-19-14-7-4-12(21(23)24)10-15(14)27-17/h2-7,10,18H,8-9H2,1H3,(H,19,20,22)