2-azanyl-2-(hydroxymethyl)propane-1,3-diol; [(2-nitro-5-propylsulfanyl-phenyl)iminomethylamino] 2-(methoxycarbonylamino)ethanesulfonate

Systemtic Name: 2-azanyl-2-(hydroxymethyl)propane-1,3-diol; [(2-nitro-5-propylsulfanyl-phenyl)iminomethylamino] 2-(methoxycarbonylamino)ethanesulfonate Openeye Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; [(2-nitro-5-propylsulfanyl-phenyl)iminomethylamino] 2-(methoxycarbonylamino)ethanesulfonate CAS Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 2-(methoxycarbonylamino)ethanesulfonic acid [[2-nitro-5-(propylthio)phenyl]iminomethylamino] ester IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; [(2-nitro-5-propylsulfanylphenyl)iminomethylamino] 2-(methoxycarbonylamino)ethanesulfonate Traditional Name: 2-amino-2-methylol-propane-1,3-diol; 2-(carbomethoxyamino)ethanesulfonic acid [[2-nitro-5-(propylthio)phenyl]iminomethylamino] ester Formula: C18H31N5O10S2 MolecularWeight: 541.59624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N=CNOS(=O)(=O)CCNC(=O)OC.C(C(CO)(CO)N)O

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N=CNOS(=O)(=O)CCNC(=O)OC.C(C(CO)(CO)N)O

InChI

InChI=1S/C14H20N4O7S2.C4H11NO3/c1-3-7-26-11-4-5-13(18(20)21)12(9-11)16-10-17-25-27(22,23)8-6-15-14(19)24-2;5-4(1-6,2-7)3-8/h4-5,9-10H,3,6-8H2,1-2H3,(H,15,19)(H,16,17);6-8H,1-3,5H2