2-[[(4-chloranyl-3-nitro-phenyl)sulfonyl-propyl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(4-chloranyl-3-nitro-phenyl)sulfonyl-propyl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(4-chloro-3-nitro-phenyl)sulfonyl-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide CAS Name: 2-[[(4-chloro-3-nitrophenyl)sulfonyl-propylamino]methyl]-N-propyl-4-thiazolecarboxamide IUPAC Name: 2-[[(4-chloro-3-nitrophenyl)sulfonyl-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-chloro-3-nitro-phenyl)sulfonyl-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide Formula: C17H21ClN4O5S2 MolecularWeight: 460.95544

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CSC(=N1)CN(CCC)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C1=CSC(=N1)CN(CCC)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H21ClN4O5S2/c1-3-7-19-17(23)14-11-28-16(20-14)10-21(8-4-2)29(26,27)12-5-6-13(18)15(9-12)22(24)25/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,19,23)