N-(cyclopropylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-piperazine-1-sulfonamide

Systemtic Name: N-(cyclopropylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-piperazine-1-sulfonamide Openeye Name: N-(cyclopropylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-piperazine-1-sulfonamide CAS Name: N-(cyclopropylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-1-piperazinesulfonamide IUPAC Name: N-(cyclopropylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propylpiperazine-1-sulfonamide Traditional Name: N-(cyclopropylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propyl-piperazine-1-sulfonamide Formula: C18H25F3N4O4S MolecularWeight: 450.47571

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC1CC1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H25F3N4O4S/c1-2-7-24(13-14-3-4-14)30(28,29)23-10-8-22(9-11-23)16-6-5-15(18(19,20)21)12-17(16)25(26)27/h5-6,12,14H,2-4,7-11,13H2,1H3