2-[5-azanyl-2-[3-(hexylamino)propylamino]phenyl]sulfonylethanesulfonic acid

Systemtic Name: 2-[5-azanyl-2-[3-(hexylamino)propylamino]phenyl]sulfonylethanesulfonic acid Openeye Name: 2-[5-amino-2-[3-(hexylamino)propylamino]phenyl]sulfonylethanesulfonic acid CAS Name: 2-[5-amino-2-[3-(hexylamino)propylamino]phenyl]sulfonylethanesulfonic acid IUPAC Name: 2-[5-amino-2-[3-(hexylamino)propylamino]phenyl]sulfonylethanesulfonic acid Traditional Name: 2-[5-amino-2-[3-(hexylamino)propylamino]phenyl]sulfonylethanesulfonic acid Formula: C17H31N3O5S2 MolecularWeight: 421.57514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCCCNC1=C(C=C(C=C1)N)S(=O)(=O)CCS(=O)(=O)O

Isomeric SMILES

CCCCCCNCCCNC1=C(C=C(C=C1)N)S(=O)(=O)CCS(=O)(=O)O

InChI

InChI=1S/C17H31N3O5S2/c1-2-3-4-5-9-19-10-6-11-20-16-8-7-15(18)14-17(16)26(21,22)12-13-27(23,24)25/h7-8,14,19-20H,2-6,9-13,18H2,1H3,(H,23,24,25)