N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide

Systemtic Name: N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide Openeye Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide CAS Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide IUPAC Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide Traditional Name: N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-3-(nosylamino)propionamide Formula: C18H20N4O6S2 MolecularWeight: 452.5046

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H20N4O6S2/c1-18(2)9-13-16(14(23)10-18)29-17(20-13)21-15(24)7-8-19-30(27,28)12-5-3-11(4-6-12)22(25)26/h3-6,19H,7-10H2,1-2H3,(H,20,21,24)