1-butyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-butyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-butyl-N-[5-(4-nitrophenyl)sulfonylthiazol-2-yl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-butyl-N-[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-butyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-butyl-5-keto-N-(5-nosylthiazol-2-yl)pyrrolidine-3-carboxamide Formula: C18H20N4O6S2 MolecularWeight: 452.5046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(CC1=O)C(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1CC(CC1=O)C(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S2/c1-2-3-8-21-11-12(9-15(21)23)17(24)20-18-19-10-16(29-18)30(27,28)14-6-4-13(5-7-14)22(25)26/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,19,20,24)