2-[(4S)-5-[4-(12-azanyldodecanoyl)piperazin-1-yl]-5-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentyl]guanidine

Systemtic Name: 2-[(4S)-5-[4-(12-azanyldodecanoyl)piperazin-1-yl]-5-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentyl]guanidine Openeye Name: 2-[(4S)-5-[4-(12-aminododecanoyl)piperazin-1-yl]-5-oxo-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentyl]guanidine CAS Name: 2-[(4S)-5-[4-(12-amino-1-oxododecyl)-1-piperazinyl]-5-oxo-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentyl]guanidine IUPAC Name: 2-[(4S)-5-[4-(12-aminododecanoyl)piperazin-1-yl]-5-oxo-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentyl]guanidine Traditional Name: 2-[(4S)-5-[4-(12-aminododecanoyl)piperazino]-5-keto-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentyl]guanidine Formula: C29H48F3N7O4S MolecularWeight: 647.79613

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCCCCCCCCCN)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)CCCCCCCCCCCN)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C29H48F3N7O4S/c30-29(31,32)23-12-10-13-24(22-23)44(42,43)37-25(14-11-17-36-28(34)35)27(41)39-20-18-38(19-21-39)26(40)15-8-6-4-2-1-3-5-7-9-16-33/h10,12-13,22,25,37H,1-9,11,14-21,33H2,(H4,34,35,36)/t25-/m0/s1