1-nitro-2-[(4S)-5-oxidanylidene-5-piperidin-1-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentyl]guanidine

Systemtic Name: 1-nitro-2-[(4S)-5-oxidanylidene-5-piperidin-1-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentyl]guanidine Openeye Name: 1-nitro-2-[(4S)-5-oxo-5-(1-piperidyl)-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentyl]guanidine CAS Name: 1-nitro-2-[(4S)-5-oxo-5-(1-piperidinyl)-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentyl]guanidine IUPAC Name: 1-nitro-2-[(4S)-5-oxo-5-piperidin-1-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentyl]guanidine Traditional Name: 2-[(4S)-5-keto-5-piperidino-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentyl]-1-nitro-guanidine Formula: C18H25F3N6O5S MolecularWeight: 494.48851

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(CCCN=C(N)N[N+](=O)[O-])NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H25F3N6O5S/c19-18(20,21)13-6-4-7-14(12-13)33(31,32)25-15(16(28)26-10-2-1-3-11-26)8-5-9-23-17(22)24-27(29)30/h4,6-7,12,15,25H,1-3,5,8-11H2,(H3,22,23,24)/t15-/m0/s1